U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C18H24FN3O3S
Molecular Weight 381.465
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENTHIAVALICARB-ISOPROPYL

SMILES

CC(C)OC(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C1=NC2=CC=C(F)C=C2S1

InChI

InChIKey=USRKFGIXLGKMKU-ABAIWWIYSA-N
InChI=1S/C18H24FN3O3S/c1-9(2)15(22-18(24)25-10(3)4)16(23)20-11(5)17-21-13-7-6-12(19)8-14(13)26-17/h6-11,15H,1-5H3,(H,20,23)(H,22,24)/t11-,15+/m1/s1

HIDE SMILES / InChI

Molecular Formula C18H24FN3O3S
Molecular Weight 381.465
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:47:02 GMT 2023
Edited
by admin
on Sat Dec 16 09:47:02 GMT 2023
Record UNII
AJ55PMS5IT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENTHIAVALICARB-ISOPROPYL
ISO   MI  
Common Name English
BENTHIAVALICARB ISOPROPYL
HSDB  
Common Name English
BENTHIAVALICARB-ISOPROPYL [MI]
Common Name English
BENTHIAVALICARB-ISOPROPYL [ISO]
Common Name English
CARBAMIC ACID, (1-(((1-(6-FLUORO-2-BENZOTHIAZOLYL)ETHYL)AMINO)CARBONYL)-2-METHYLPROPYL)-, 1-METHYLETHYL ESTER, (S-(R*,S*))-
Systematic Name English
KIF-230
Code English
BENTHIAVALICARB ISOPROPYL [HSDB]
Common Name English
CARBAMIC ACID, N-((1S)-1-((((1R)-1-(6-FLUORO-2-BENZOTHIAZOLYL)ETHYL)AMINO)CARBONYL)-2-METHYLPROPYL)-, 1-METHYLETHYL ESTER
Systematic Name English
CARBAMIC ACID, ((1S)-1-((((1R)-1-(6-FLUORO-2-BENZOTHIAZOLYL)ETHYL)AMINO)CARBONYL)-2-METHYLPROPYL)-, 1-METHYLETHYL ESTER
Systematic Name English
ISOPROPYL ((S)-1-(((1R)-1-(6-FLUORO-1,3-BENZOTHIAZOL-2- YL)ETHYL)CARBAMOYL)-2-METHYLPROPYL)CARBAMATE
Systematic Name English
1-METHYLETHYL ((1S)-1-((((1R)-1-(6-FLUORO-2-BENZOTHIAZOLYL)ETHYL)AMINO)CARBONYL)-2-METHYLPROPYL)CARBAMATE
Systematic Name English
Classification Tree Code System Code
EPA PESTICIDE CODE 98379
Created by admin on Sat Dec 16 09:47:02 GMT 2023 , Edited by admin on Sat Dec 16 09:47:02 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID9058232
Created by admin on Sat Dec 16 09:47:02 GMT 2023 , Edited by admin on Sat Dec 16 09:47:02 GMT 2023
PRIMARY
CHEBI
81732
Created by admin on Sat Dec 16 09:47:02 GMT 2023 , Edited by admin on Sat Dec 16 09:47:02 GMT 2023
PRIMARY
ALANWOOD
benthiavalicarb-isopropyl
Created by admin on Sat Dec 16 09:47:02 GMT 2023 , Edited by admin on Sat Dec 16 09:47:02 GMT 2023
PRIMARY
CAS
177406-68-7
Created by admin on Sat Dec 16 09:47:02 GMT 2023 , Edited by admin on Sat Dec 16 09:47:02 GMT 2023
PRIMARY
FDA UNII
AJ55PMS5IT
Created by admin on Sat Dec 16 09:47:02 GMT 2023 , Edited by admin on Sat Dec 16 09:47:02 GMT 2023
PRIMARY
MERCK INDEX
m2325
Created by admin on Sat Dec 16 09:47:02 GMT 2023 , Edited by admin on Sat Dec 16 09:47:02 GMT 2023
PRIMARY Merck Index
HSDB
7501
Created by admin on Sat Dec 16 09:47:02 GMT 2023 , Edited by admin on Sat Dec 16 09:47:02 GMT 2023
PRIMARY
PUBCHEM
53297381
Created by admin on Sat Dec 16 09:47:02 GMT 2023 , Edited by admin on Sat Dec 16 09:47:02 GMT 2023
PRIMARY