Structure Information
Structure

Compound Identification

SMILES

OC(=O)C=CC(O)=O.CSC1=CC2=C(SC3=CC=CC=C3CC2N2CCN(CCC3OCCO3)CC2)C=C1

InChIKey

InChIKey=ZSQWMPLVTMLDGB-UHFFFAOYSA-N

Formula

C28H34N2O6S2

Mass

558.71

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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-alkylpiperazine - Alkylarylthioether - Aralkylamine - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Meta-dioxolane - Tertiary aliphatic amine - Tertiary amine - Azacycle - Sulfenyl compound - Carboxylic acid - Carboxylic acid derivative - Thioether - Oxacycle - Acetal - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Amine - Organic oxygen compound - 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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