Structure Information
Structure

Compound Identification

SMILES

CCN(CC)C1=CC=C(C=C1)C1=CSC(=N1)C1CCN(CC1)C(=O)\C=C\C1=CC=CC=C1Br

InChIKey

InChIKey=NCODNGPXHRWFER-SDNWHVSQSA-N

Formula

C27H30BrN3OS

Mass

524.52

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Cinnamic acids and derivatives

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Cinnamic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Cinnamic acid or derivatives - N-acyl-piperidine - Styrene - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - 2,4-disubstituted 1,3-thiazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Piperidine - Benzenoid - Thiazole - Tertiary carboxylic acid amide - Azole - Heteroaromatic compound - Tertiary amine - Amino acid or derivatives - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Amine - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.

External Descriptors

Not available

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