Structure Information
Structure

Compound Identification

SMILES

ClC1=CC2=C(SC3=CC=CC=C3CC2N2CCN(CCC#N)CC2)C=C1

InChIKey

InChIKey=XKJSJCQYHWLKTF-UHFFFAOYSA-N

Formula

C21H22ClN3S

Mass

383.94

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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 Nitriles Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Dibenzothiepin - Diarylthioether - Aryl thioether - Aralkylamine - N-alkylpiperazine - Benzenoid - Piperazine - 1,4-diazinane - Aryl halide - Aryl chloride - Tertiary aliphatic amine - Tertiary amine - Azacycle - Thioether - Nitrile - Carbonitrile - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - 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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