Structure Information
Structure

Compound Identification

SMILES

COC1=C(Cl)C=C(C=C1)C(=O)NC(=S)NC1=CC(Cl)=C(C=C1)C1=CC2=CC=CC=C2OC1=O

InChIKey

InChIKey=CWYRKTPTBSBDCO-UHFFFAOYSA-N

Formula

C24H16Cl2N2O4S

Mass

499.36

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

Isoflav-3-enes

Intermediate Tree Nodes

Not available

Direct Parent

Isoflav-3-enones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoflav-3-enone skeleton - N-acyl-phenylthiourea - Coumarin - N-phenylthiourea - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 1-benzopyran - Benzopyran - Benzoic acid or derivatives - Methoxybenzene - Phenoxy compound - Phenol ether - Anisole - Benzoyl - Halobenzene - Alkyl aryl ether - Chlorobenzene - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Thiourea - Lactone - Carboxylic acid derivative - Oxacycle - Ether - Organoheterocyclic compound - Organic oxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoflav-3-enones. These are flavonoids with a structure based on an isoflav-3-ene skeleton bearing an oxo-group at position C2.

External Descriptors

Not available

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