Structure Information
Structure

Compound Identification

SMILES

C1CCCCC1.OCCN1CCN(CC1)C1CC2=C(SC3=C1C=C(Cl)C=C3)C=CC(Cl)=C2

InChIKey

InChIKey=GPCWCUHXAQMBHZ-UHFFFAOYSA-N

Formula

C26H34Cl2N2OS

Mass

493.53

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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

Diarylthioethers N-alkylpiperazines Aralkylamines Benzenoids Aryl chlorides Trialkylamines 1,2-aminoalcohols Cycloalkanes Azacyclic compounds Primary alcohols Organochlorides Hydrocarbon derivatives

Molecular Framework

Not available

Substituents

Dibenzothiepin - Diarylthioether - Aryl thioether - N-alkylpiperazine - Aralkylamine - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Benzenoid - Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Thioether - Azacycle - Cycloalkane - Alkanolamine - Primary alcohol - Hydrocarbon derivative - Organic oxygen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Alcohol - Amine - Hydrocarbon - Saturated hydrocarbon - 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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