Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(NC(=O)C2=CC=C(Br)C=C2)SC(C(=O)N2CCCCCC2)=C1C

InChIKey

InChIKey=LWFDNKILMHTYDH-UHFFFAOYSA-N

Formula

C22H25BrN2O4S

Mass

493.42

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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 - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2-heteroaryl carboxamide - Benzoyl - Bromobenzene - Halobenzene - Azepane - Aryl bromide - Aryl halide - Heteroaromatic compound - Vinylogous amide - Thiophene - Tertiary carboxylic acid amide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organohalogen compound - Organobromide - 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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