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Details

Stereochemistry ACHIRAL
Molecular Formula C20H25ClN2O2S
Molecular Weight 392.943
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Methyl-1-(1-methylethyl)propyl 2-chloro-5-[[(1-methyl-1H-pyrrol-2-yl)thioxomethyl]amino]benzoate

SMILES

CC(C)C(OC(=O)C1=CC(NC(=S)C2=CC=CN2C)=CC=C1Cl)C(C)C

InChI

InChIKey=GIUIBLWYGMVFHQ-UHFFFAOYSA-N
InChI=1S/C20H25ClN2O2S/c1-12(2)18(13(3)4)25-20(24)15-11-14(8-9-16(15)21)22-19(26)17-7-6-10-23(17)5/h6-13,18H,1-5H3,(H,22,26)

HIDE SMILES / InChI

Molecular Formula C20H25ClN2O2S
Molecular Weight 392.943
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 18:38:58 GMT 2023
Edited
by admin
on Sat Dec 16 18:38:58 GMT 2023
Record UNII
KB3Z7SV2E7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Methyl-1-(1-methylethyl)propyl 2-chloro-5-[[(1-methyl-1H-pyrrol-2-yl)thioxomethyl]amino]benzoate
Systematic Name English
NSC-648344
Code English
UC-79
Code English
Benzoic acid, 2-chloro-5-(((1-methyl-1H-pyrrol-2-yl)thioxomethyl)amino)-, 2-methyl-1-(1-methylethyl)propyl ester
Common Name English
Code System Code Type Description
CAS
172998-62-8
Created by admin on Sat Dec 16 18:38:58 GMT 2023 , Edited by admin on Sat Dec 16 18:38:58 GMT 2023
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PUBCHEM
3000894
Created by admin on Sat Dec 16 18:38:58 GMT 2023 , Edited by admin on Sat Dec 16 18:38:58 GMT 2023
PRIMARY
FDA UNII
KB3Z7SV2E7
Created by admin on Sat Dec 16 18:38:58 GMT 2023 , Edited by admin on Sat Dec 16 18:38:58 GMT 2023
PRIMARY
NSC
648344
Created by admin on Sat Dec 16 18:38:58 GMT 2023 , Edited by admin on Sat Dec 16 18:38:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID10169490
Created by admin on Sat Dec 16 18:38:58 GMT 2023 , Edited by admin on Sat Dec 16 18:38:58 GMT 2023
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