Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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