Structure Information
Structure

Compound Identification

SMILES

CN1CCN(C[C@@H]2[C@H](SC3=CC=CC=C3C2=O)C2=CC=CC=C2)CC1

InChIKey

InChIKey=JBPAUKYNZOKBIP-GHTZIAJQSA-N

Formula

C21H24N2OS

Mass

352.5

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Thiochromanes

Subclass

Thioflavans

Intermediate Tree Nodes

Not available

Direct Parent

Thioflavans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Thioflavan - 1-benzothiopyran - Benzothiopyran - Aryl thioether - Aryl ketone - Aryl alkyl ketone - N-methylpiperazine - N-alkylpiperazine - Alkylarylthioether - Aralkylamine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Thiopyran - Benzenoid - Vinylogous thioester - Tertiary aliphatic amine - Tertiary amine - Ketone - Thioether - Azacycle - Organic nitrogen compound - Amine - Organooxygen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as thioflavans. These are compounds containing a thiochromane skeleton substituted at the 2-position with a phenyl group.

External Descriptors

Not available

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