Structure Information
Structure

Compound Identification

SMILES

COC1=CC=C(C=C2SC(=O)N(CCNC(=O)C3=CC=C(Br)C=C3)C2=O)C=C1

InChIKey

InChIKey=SALAXCUKBXBPOO-UHFFFAOYSA-N

Formula

C20H17BrN2O4S

Mass

461.33

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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

Halobenzoic acids and derivatives

Direct Parent

4-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

4-halobenzoic acid or derivatives - Benzamide - Phenoxy compound - Anisole - Methoxybenzene - Benzoyl - Phenol ether - Alkyl aryl ether - Halobenzene - Bromobenzene - Thiazolidinedione - Aryl bromide - Aryl halide - Dicarboximide - Thiazolidine - Thiocarbamic acid derivative - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.

External Descriptors

Not available

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