Structure Information
Structure

Compound Identification

SMILES

CCN1CCCC1CNC1CC2=C(SC3=CC=CC=C13)C=CC(Cl)=C2

InChIKey

InChIKey=YFPIRWFEOJUQFS-UHFFFAOYSA-N

Formula

C21H25ClN2S

Mass

372.96

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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 Aralkylamines N-alkylpyrrolidines Benzenoids Aryl chlorides Trialkylamines Dialkylamines Azacyclic compounds Organochlorides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Dibenzothiepin - Diarylthioether - Aryl thioether - Aralkylamine - Aryl chloride - Aryl halide - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Secondary aliphatic amine - Thioether - Secondary amine - Organohalogen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - 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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