Structure Information
Structure

Compound Identification

SMILES

BrC1=CC2=C(C=C1)N(CC#C)C(S2)=NC(=O)C1=CC(=CC=C1)N1C(=O)CCC1=O

InChIKey

InChIKey=HXXIOZLQPLQOBI-UHFFFAOYSA-N

Formula

C21H14BrN3O3S

Mass

468.33

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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 heteropolycyclic compounds

Substituents

Acylaminobenzoic acid or derivatives - 1-phenylpyrrolidine - 1,3-benzothiazole - Benzoyl - Aryl bromide - Aryl halide - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - Azole - Carboxylic acid imide - Thiazole - Dicarboximide - Heteroaromatic compound - Pyrrolidine - Pyrrole - Lactam - Isothiourea - Acetylide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organobromide - Aromatic heteropolycyclic 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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