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

Details

Stereochemistry ACHIRAL
Molecular Formula C15H21ClN2O2S
Molecular Weight 328.857
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of O-(1-Methylethyl) N-[4-chloro-3-[[(1,1-dimethylethoxy)imino]methyl]phenyl]carbamothioate

SMILES

CC(C)OC(=S)NC1=CC=C(Cl)C(\C=N\OC(C)(C)C)=C1

InChI

InChIKey=RCXQHLSNKCYCLP-RQZCQDPDSA-N
InChI=1S/C15H21ClN2O2S/c1-10(2)19-14(21)18-12-6-7-13(16)11(8-12)9-17-20-15(3,4)5/h6-10H,1-5H3,(H,18,21)/b17-9+

HIDE SMILES / InChI

Molecular Formula C15H21ClN2O2S
Molecular Weight 328.857
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:12:14 GMT 2023
Edited
by admin
on Sat Dec 16 13:12:14 GMT 2023
Record UNII
7QAV3D24F3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-(1-Methylethyl) N-[4-chloro-3-[[(1,1-dimethylethoxy)imino]methyl]phenyl]carbamothioate
Systematic Name English
Carbamothioic acid, N-[4-chloro-3-[[(1,1-dimethylethoxy)imino]methyl]phenyl]-, O-(1-methylethyl) ester
Systematic Name English
Carbamothioic acid, (4-chloro-3-(((1,1-dimethylethoxy)imino)methyl)phenyl)-, O-(1-methylethyl) ester
Systematic Name English
UC-32
Code English
(3-(tert-Butoxyimino-methyl)-4-chloro-phenyl)-thiocarbamic acid, O-isopropyl ester
Common Name English
NSC-645542
Code English
Code System Code Type Description
FDA UNII
7QAV3D24F3
Created by admin on Sat Dec 16 13:12:14 GMT 2023 , Edited by admin on Sat Dec 16 13:12:14 GMT 2023
PRIMARY
CAS
165549-68-8
Created by admin on Sat Dec 16 13:12:14 GMT 2023 , Edited by admin on Sat Dec 16 13:12:14 GMT 2023
PRIMARY
NSC
645542
Created by admin on Sat Dec 16 13:12:14 GMT 2023 , Edited by admin on Sat Dec 16 13:12:14 GMT 2023
PRIMARY
PUBCHEM
9554700
Created by admin on Sat Dec 16 13:12:14 GMT 2023 , Edited by admin on Sat Dec 16 13:12:14 GMT 2023
PRIMARY