Structure Information
Structure

Compound Identification

SMILES

BrC1=CC2=C(C=C1)C(CCN1CCCCC1)(C#N)C1=CC=CC=C1CS2

InChIKey

InChIKey=KJQKGNFMVAGFDW-UHFFFAOYSA-N

Formula

C22H23BrN2S

Mass

427.4

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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

Aralkylamines Alkylarylthioethers Piperidines Benzenoids Aryl bromides Trialkylamines Nitriles Azacyclic compounds Organobromides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Dibenzothiepin - Aryl thioether - Aralkylamine - Alkylarylthioether - Aryl bromide - Aryl halide - Piperidine - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Azacycle - Nitrile - Carbonitrile - Thioether - Amine - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Cyanide - 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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