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Details

Stereochemistry ACHIRAL
Molecular Formula C19H29NOS
Molecular Weight 319.505
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(2-Ethylbutyl)-N-(2-mercaptophenyl)cyclohexanecarboxamide

SMILES

CCC(CC)CC1(CCCCC1)C(=O)NC2=C(S)C=CC=C2

InChI

InChIKey=OVRLABAFXJPIMU-UHFFFAOYSA-N
InChI=1S/C19H29NOS/c1-3-15(4-2)14-19(12-8-5-9-13-19)18(21)20-16-10-6-7-11-17(16)22/h6-7,10-11,15,22H,3-5,8-9,12-14H2,1-2H3,(H,20,21)

HIDE SMILES / InChI

Molecular Formula C19H29NOS
Molecular Weight 319.505
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 19:47:16 UTC 2023
Edited
by admin
on Sat Dec 16 19:47:16 UTC 2023
Record UNII
PEW5P6H57S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(2-Ethylbutyl)-N-(2-mercaptophenyl)cyclohexanecarboxamide
Systematic Name English
N-(2-Mercaptophenyl)-1-(2-ethylbutyl)cyclohexanecarboxamide
Systematic Name English
Cyclohexanecarboxamide, 1-(2-ethylbutyl)-N-(2-mercaptophenyl)-
Systematic Name English
Code System Code Type Description
CAS
211513-21-2
Created by admin on Sat Dec 16 19:47:16 UTC 2023 , Edited by admin on Sat Dec 16 19:47:16 UTC 2023
PRIMARY
PUBCHEM
6918816
Created by admin on Sat Dec 16 19:47:16 UTC 2023 , Edited by admin on Sat Dec 16 19:47:16 UTC 2023
PRIMARY
FDA UNII
PEW5P6H57S
Created by admin on Sat Dec 16 19:47:16 UTC 2023 , Edited by admin on Sat Dec 16 19:47:16 UTC 2023
PRIMARY
EPA CompTox
DTXSID10426090
Created by admin on Sat Dec 16 19:47:16 UTC 2023 , Edited by admin on Sat Dec 16 19:47:16 UTC 2023
PRIMARY
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