Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C\C(O)=O.CN1CCN(CC1)C1=CC2=C(C=C1)C(C1=CC=CC=C1)C1=CC=CC=C1CS2

InChIKey

InChIKey=KHOVIDFLDPENDN-WLHGVMLRSA-N

Formula

C29H30N2O4S

Mass

502.63

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiepins

Subclass

Dibenzothiepins

Intermediate Tree Nodes

Not available

Direct Parent

Dibenzothiepins

Alternative Parents

Molecular Framework

Not available

Substituents

Dibenzothiepin - N-arylpiperazine - Tertiary aliphatic/aromatic amine - Aryl thioether - Dialkylarylamine - Alkylarylthioether - N-alkylpiperazine - N-methylpiperazine - 1,4-diazinane - Fatty acyl - Fatty acid - Monocyclic benzene moiety - Benzenoid - Dicarboxylic acid or derivatives - Unsaturated fatty acid - Piperazine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carboxylic acid - Carboxylic acid derivative - Thioether - Amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as dibenzothiepins. These are compounds containing a dibenzothiepin moiety, which consists of two benzene connected by a thiepine ring.

External Descriptors

Not available

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