Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC(NC(=O)CSC2=NN=C(CNC(=O)C3=CC(C)=CC=C3)N2C)=C(Cl)C=C1

InChIKey

InChIKey=BFEKBTQLYRNKLF-UHFFFAOYSA-N

Formula

C22H22ClN5O4S

Mass

487.96

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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

Not available

Direct Parent

Acylaminobenzoic acid and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Acylaminobenzoic acid or derivatives - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Anilide - Benzamide - Toluamide - M-toluamide - Benzoyl - N-arylamide - Aryl thioether - Halobenzene - Alkylarylthioether - Chlorobenzene - Toluene - Aryl halide - Aryl chloride - Heteroaromatic compound - Methyl ester - 1,2,4-triazole - Azole - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Thioether - Sulfenyl compound - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as acylaminobenzoic acid and derivatives. These are derivatives of amino benzoic acid derivatives where the amine group is N-acylated.

External Descriptors

Not available

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