Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=CC(NC(=O)CSC2=NN=C(C(C)NC(=O)C3=CC=CC=C3Br)N2C)=C(Cl)C=C1

InChIKey

InChIKey=LPODDVKMWOTLSG-UHFFFAOYSA-N

Formula

C22H21BrClN5O4S

Mass

566.86

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