Structure Information
Structure

Compound Identification

SMILES

O.[O-]C(=O)\C=C/C([O-])=O.CC(C)CSC1=CC2=C(SC3=CC=CC=C3C=C2N2CCN(C)CC2)C=C1

InChIKey

InChIKey=UOLIREOMCDNLFG-FJOGWHKWSA-L

Formula

C27H32N2O5S2

Mass

528.68

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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 - Diarylthioether - Aryl thioether - Thiophenol ether - N-methylpiperazine - N-alkylpiperazine - Alkylarylthioether - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Unsaturated fatty acid - Benzenoid - Fatty acyl - Fatty acid - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid salt - Sulfenyl compound - Carboxylic acid - Carboxylic acid derivative - Thioether - Azacycle - Enamine - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Carbonyl group - Organic anion - 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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