Structure Information
Structure

Compound Identification

SMILES

CCOC12SN(N=C1C1=CC=CC=C1OC2(OCC)C1=CC=C(Cl)C=C1)C1=C(Cl)C=C(NC(C)=O)C=C1

InChIKey

InChIKey=LBKYNVVJTQGUIJ-UHFFFAOYSA-N

Formula

C27H25Cl2N3O4S

Mass

558.47

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Flavonoids

Subclass

Flavans

Intermediate Tree Nodes

Not available

Direct Parent

Flavans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Flavan - M-haloacetanilide - Haloacetanilide - Acetanilide - Benzopyran - Chromane - 1-benzopyran - Benzylether - N-acetylarylamine - Anilide - N-arylamide - Chlorobenzene - Halobenzene - Ketal - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Acetamide - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as flavans. These are compounds containing a flavan moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran skeleton.

External Descriptors

Not available

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