Structure Information
Structure

Compound Identification

SMILES

O=C(NNC(=S)NC1CC(OC2=CC=CC=C12)C1=CC=CC=C1)C1=CC=CC=C1

InChIKey

InChIKey=CCSPQOLQLJHPHB-UHFFFAOYSA-N

Formula

C23H21N3O2S

Mass

403.5

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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 - Chromane - Benzopyran - 1-benzopyran - Benzoic acid or derivatives - Benzoyl - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Thiosemicarbazide - Carboxylic acid hydrazide - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Ether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organosulfur compound - Organonitrogen compound - Organooxygen 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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