Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(NC(=O)C=CC2=CC(Cl)=C(Cl)C=C2)SC=C1C1=CC=C(Br)C=C1

InChIKey

InChIKey=DFVGCRDUPKLEOF-UHFFFAOYSA-N

Formula

C21H14BrCl2NO3S

Mass

511.21

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Cinnamic acid amides

Intermediate Tree Nodes

Not available

Direct Parent

Cinnamic acid amides

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Cinnamic acid amide - 1,2-dichlorobenzene - N-arylamide - Thiophene carboxylic acid or derivatives - Styrene - Halobenzene - Bromobenzene - Chlorobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Methyl ester - Thiophene - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Organoheterocyclic compound - Carboxylic acid derivative - Organochloride - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.

External Descriptors

Not available

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