Compound Identification
SMILES
CSC1=CC=CC(=C1)C(=O)NC1=C(C(N)=O)C2=C(CN(CC2)C(C)=O)S1
InChIKey
InChIKey=AFXUTLSQRGZVQD-UHFFFAOYSA-N
Formula
C18H19N3O3S2
Mass
389.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Sulfanylbenzoic acids and derivatives
Direct Parent
M-sulfanylbenzoic acids and derivatives
Alternative Parents
Thienopyridines Pyridinecarboxamides Benzamides Thiophenol ethers Thiophene carboxamides Benzoyl derivatives Alkylarylthioethers Vinylogous amides Tertiary carboxylic acid amides Acetamides Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
M-sulfanylbenzoic acid or derivatives - Benzamide - Pyridinecarboxamide - Thienopyridine - Aryl thioether - Benzoyl - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Thiophenol ether - Alkylarylthioether - Tertiary carboxylic acid amide - Heteroaromatic compound - Acetamide - Thiophene - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Primary carboxylic acid amide - Azacycle - Thioether - Sulfenyl compound - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organosulfur compound - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as m-sulfanylbenzoic acids and derivatives. These are benzoic acids (or derivatives) which bear a sulfanyl group (R-SH) attached to the benzene ring at positions 1 and 3, respectively.
External Descriptors
Not available