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

Details

Stereochemistry ACHIRAL
Molecular Formula C14H19ClN2O2S
Molecular Weight 314.831
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 1-Isopropyl [4-chloro-3-[[(1-isopropoxy)imino]methyl]phenyl]carbamothioate

SMILES

CC(C)O\N=C\C1=C(Cl)C=CC(NC(=S)OC(C)C)=C1

InChI

InChIKey=PAALNFGWMCOSOL-LZYBPNLTSA-N
InChI=1S/C14H19ClN2O2S/c1-9(2)18-14(20)17-12-5-6-13(15)11(7-12)8-16-19-10(3)4/h5-10H,1-4H3,(H,17,20)/b16-8+

HIDE SMILES / InChI

Molecular Formula C14H19ClN2O2S
Molecular Weight 314.831
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 Tue Apr 01 20:12:10 GMT 2025
Edited
by admin
on Tue Apr 01 20:12:10 GMT 2025
Record UNII
XYU5GF5VF4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-Isopropyl [4-chloro-3-[[(1-isopropoxy)imino]methyl]phenyl]carbamothioate
Systematic Name English
Carbamothioic acid, [4-chloro-3-[[(1-methylethoxy)imino]methyl]phenyl]-, O-(1-methylethyl) ester
Preferred Name English
UC-581
Code English
NSC-645727
Code English
Code System Code Type Description
CAS
165549-69-9
Created by admin on Tue Apr 01 20:12:10 GMT 2025 , Edited by admin on Tue Apr 01 20:12:10 GMT 2025
PRIMARY
FDA UNII
XYU5GF5VF4
Created by admin on Tue Apr 01 20:12:10 GMT 2025 , Edited by admin on Tue Apr 01 20:12:10 GMT 2025
PRIMARY
PUBCHEM
5351400
Created by admin on Tue Apr 01 20:12:10 GMT 2025 , Edited by admin on Tue Apr 01 20:12:10 GMT 2025
PRIMARY
NSC
645727
Created by admin on Tue Apr 01 20:12:10 GMT 2025 , Edited by admin on Tue Apr 01 20:12:10 GMT 2025
PRIMARY