Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=CC=C1C(=O)NC(CC1=CNC2=CC=CC=C12)C(=O)NC1=NC2=CC=CC=C2S1

InChIKey

InChIKey=QQFIGIPCXYPHNV-UHFFFAOYSA-N

Formula

C25H19ClN4O2S

Mass

474.96

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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

Benzamides

Direct Parent

Hippuric acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Hippuric acid or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Triptan - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - 3-alkylindole - Halobenzoic acid or derivatives - 2-halobenzoic acid or derivatives - Indole - Indole or derivatives - 1,3-benzothiazole - Benzoyl - N-arylamide - Halobenzene - Chlorobenzene - Fatty amide - Aryl chloride - Fatty acyl - Aryl halide - Substituted pyrrole - Vinylogous halide - Pyrrole - Azole - Heteroaromatic compound - Thiazole - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as hippuric acids and derivatives. These are compounds containing a hippuric acid or a derivative, with a structure characterized the presence of a benzoyl group linked to the N-terminal of a glycine.

External Descriptors

Not available

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