Structure Information
Structure

Compound Identification

SMILES

COC(=O)C(NC(=O)C1=CC=CC=C1)=CNC1=CN=C(SC2=CC=C(Cl)C=C2)C=C1

InChIKey

InChIKey=NXPGDYHHZIZXCS-UHFFFAOYSA-N

Formula

C22H18ClN3O3S

Mass

439.91

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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 heteromonocyclic compounds

Substituents

N-acyl-alpha amino acid or derivatives - Hippuric acid or derivatives - Diarylthioether - Alpha-amino acid or derivatives - Aryl thioether - Thiophenol ether - Benzoyl - Aminopyridine - Chlorobenzene - Halobenzene - Pyridine - Aryl chloride - Aryl halide - Vinylogous amide - Heteroaromatic compound - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Enamine - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Organonitrogen compound - Amine - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organic oxygen compound - Organohalogen compound - Organochloride - Aromatic heteromonocyclic 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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