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Details

Stereochemistry ACHIRAL
Molecular Formula C20H19ClFNO2S
Molecular Weight 391.887
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BENZOIC ACID, 2-CHLORO-5-(((2-FLUOROPHENYL)THIOXOMETHYL)AMINO)-, CYCLOHEXYL ESTER

SMILES

FC1=CC=CC=C1C(=S)NC2=CC=C(Cl)C(=C2)C(=O)OC3CCCCC3

InChI

InChIKey=XYWZWVJNEDAVQZ-UHFFFAOYSA-N
InChI=1S/C20H19ClFNO2S/c21-17-11-10-13(23-19(26)15-8-4-5-9-18(15)22)12-16(17)20(24)25-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7H2,(H,23,26)

HIDE SMILES / InChI

Molecular Formula C20H19ClFNO2S
Molecular Weight 391.887
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 Tue Apr 01 19:34:06 GMT 2025
Edited
by admin
on Tue Apr 01 19:34:06 GMT 2025
Record UNII
V86BFN25HA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-640266
Preferred Name English
BENZOIC ACID, 2-CHLORO-5-(((2-FLUOROPHENYL)THIOXOMETHYL)AMINO)-, CYCLOHEXYL ESTER
Systematic Name English
CYCLOHEXYL 2-CHLORO-5-(((2-FLUOROPHENYL)THIOXOMETHYL)AMINO)BENZOATE
Systematic Name English
Code System Code Type Description
FDA UNII
V86BFN25HA
Created by admin on Tue Apr 01 19:34:06 GMT 2025 , Edited by admin on Tue Apr 01 19:34:06 GMT 2025
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EPA CompTox
DTXSID70170562
Created by admin on Tue Apr 01 19:34:06 GMT 2025 , Edited by admin on Tue Apr 01 19:34:06 GMT 2025
PRIMARY
PUBCHEM
3000975
Created by admin on Tue Apr 01 19:34:06 GMT 2025 , Edited by admin on Tue Apr 01 19:34:06 GMT 2025
PRIMARY
CAS
178870-06-9
Created by admin on Tue Apr 01 19:34:06 GMT 2025 , Edited by admin on Tue Apr 01 19:34:06 GMT 2025
PRIMARY
NSC
640266
Created by admin on Tue Apr 01 19:34:06 GMT 2025 , Edited by admin on Tue Apr 01 19:34:06 GMT 2025
PRIMARY