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Details

Stereochemistry ACHIRAL
Molecular Formula C18H18ClNO2S2
Molecular Weight 379.924
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Cyclohexyl 2-chloro-5-[(3-thienylthioxomethyl)amino]benzoate

SMILES

ClC1=CC=C(NC(=S)C2=CSC=C2)C=C1C(=O)OC3CCCCC3

InChI

InChIKey=YBRIBQYSMXAYEM-UHFFFAOYSA-N
InChI=1S/C18H18ClNO2S2/c19-16-7-6-13(20-17(23)12-8-9-24-11-12)10-15(16)18(21)22-14-4-2-1-3-5-14/h6-11,14H,1-5H2,(H,20,23)

HIDE SMILES / InChI

Molecular Formula C18H18ClNO2S2
Molecular Weight 379.924
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:07:08 GMT 2023
Edited
by admin
on Sat Dec 16 13:07:08 GMT 2023
Record UNII
Y443WVA8XF
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Cyclohexyl 2-chloro-5-[(3-thienylthioxomethyl)amino]benzoate
Systematic Name English
Benzoic acid, 2-chloro-5-((3-thienylthioxomethyl)amino)-, cyclohexyl ester
Systematic Name English
UC-16
Code English
NSC-648352
Code English
Code System Code Type Description
FDA UNII
Y443WVA8XF
Created by admin on Sat Dec 16 13:07:08 GMT 2023 , Edited by admin on Sat Dec 16 13:07:08 GMT 2023
PRIMARY
CAS
178870-18-3
Created by admin on Sat Dec 16 13:07:08 GMT 2023 , Edited by admin on Sat Dec 16 13:07:08 GMT 2023
PRIMARY
EPA CompTox
DTXSID80170573
Created by admin on Sat Dec 16 13:07:08 GMT 2023 , Edited by admin on Sat Dec 16 13:07:08 GMT 2023
PRIMARY
NSC
648352
Created by admin on Sat Dec 16 13:07:08 GMT 2023 , Edited by admin on Sat Dec 16 13:07:08 GMT 2023
PRIMARY
PUBCHEM
3000949
Created by admin on Sat Dec 16 13:07:08 GMT 2023 , Edited by admin on Sat Dec 16 13:07:08 GMT 2023
PRIMARY