Structure Information
Structure

Compound Identification

SMILES

OC1(CCN(CCCC2(C=N)C3=CC=CC=C3CSC3=CC=CC=C23)CC1)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=VAKYGDXRMYYXAA-UHFFFAOYSA-N

Formula

C29H31ClN2OS

Mass

491.09

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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

Phenylpiperidines Chlorobenzenes Aralkylamines Alkylarylthioethers Aryl chlorides Tertiary alcohols Trialkylamines Primary aldimines Azacyclic compounds Organochlorides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Dibenzothiepin - Phenylpiperidine - Aryl thioether - Halobenzene - Chlorobenzene - Alkylarylthioether - Aralkylamine - Benzenoid - Piperidine - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Thioether - Primary aldimine - Aldimine - Azacycle - Alcohol - Imine - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic nitrogen 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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