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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H18FN3O3S
Molecular Weight 339.385
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENTHIAVALICARB

SMILES

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

InChI

InChIKey=VVSLYIKSEBPRSN-PELKAZGASA-N
InChI=1S/C15H18FN3O3S/c1-7(2)12(19-15(21)22)13(20)17-8(3)14-18-10-5-4-9(16)6-11(10)23-14/h4-8,12,19H,1-3H3,(H,17,20)(H,21,22)/t8-,12+/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H18FN3O3S
Molecular Weight 339.385
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:52:03 GMT 2023
Edited
by admin
on Fri Dec 15 19:52:03 GMT 2023
Record UNII
6YZ3ZXJ6WN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENTHIAVALICARB
ISO  
Common Name English
CARBAMIC ACID, ((1S)-1-((((1R)-1-(6-FLUORO-2-BENZOTHIAZOLYL)ETHYL)AMINO)CARBONYL)-2-METHYLPROPYL)-
Systematic Name English
BENTHIAVALICARB [ISO]
Common Name English
FLUBENTHIAVALICARB
Common Name English
CARBAMIC ACID, N-((1S)-1-((((1R)-1-(6-FLUORO-2-BENZOTHIAZOLYL)ETHYL)AMINO)CARBONYL)-2-METHYLPROPYL)-
Systematic Name English
((1S)-1-((((1R)-1-(6-FLUORO-2-BENZOTHIAZOLYL)ETHYL)AMINO)CARBONYL)-2-METHYLPROPYL)CARBAMIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
6YZ3ZXJ6WN
Created by admin on Fri Dec 15 19:52:03 GMT 2023 , Edited by admin on Fri Dec 15 19:52:03 GMT 2023
PRIMARY
CAS
365564-65-4
Created by admin on Fri Dec 15 19:52:03 GMT 2023 , Edited by admin on Fri Dec 15 19:52:03 GMT 2023
SUPERSEDED
ALANWOOD
benthiavalicarb
Created by admin on Fri Dec 15 19:52:03 GMT 2023 , Edited by admin on Fri Dec 15 19:52:03 GMT 2023
PRIMARY
PUBCHEM
20593234
Created by admin on Fri Dec 15 19:52:03 GMT 2023 , Edited by admin on Fri Dec 15 19:52:03 GMT 2023
PRIMARY
EPA CompTox
DTXSID7058096
Created by admin on Fri Dec 15 19:52:03 GMT 2023 , Edited by admin on Fri Dec 15 19:52:03 GMT 2023
PRIMARY
CAS
413615-35-7
Created by admin on Fri Dec 15 19:52:03 GMT 2023 , Edited by admin on Fri Dec 15 19:52:03 GMT 2023
PRIMARY