Structure Information
Structure

Compound Identification

SMILES

OC(=O)C(CC1=CC=C(C=C1)C1=CC=CC=C1OC1=CC=CC=C1)NC(=O)C1=C(NC(=O)C2=CC3=CC=CC=C3S2)C=CC(Br)=C1

InChIKey

InChIKey=XXAUJJSWUMRPBZ-UHFFFAOYSA-N

Formula

C37H27BrN2O5S

Mass

691.6

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiophenes

Subclass

1-benzothiophenes

Intermediate Tree Nodes

Not available

Direct Parent

1-benzothiophene-2-carboxanilides

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-benzothiophene-2-carboxanilide - Phenylalanine or derivatives - Aromatic anilide - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Diphenylether - Hippuric acid - Hippuric acid or derivatives - Biphenyl - Diaryl ether - 3-phenylpropanoic-acid - Halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Amphetamine or derivatives - Alpha-amino acid or derivatives - Benzamide - Benzoic acid or derivatives - 2-heteroaryl carboxamide - Phenoxy compound - Benzoyl - Phenol ether - 2,3,5-trisubstituted thiophene - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Halobenzene - Bromobenzene - Benzenoid - Monocyclic benzene moiety - Aryl bromide - Aryl halide - Vinylogous amide - Thiophene - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Ether - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1-benzothiophene-2-carboxanilides. These are aromatic heteropolycyclic compounds that contain a 1-benzothiophene ring system, which is substituted with an anilide at the 2-position.

External Descriptors

Not available

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