Structure Information
Structure

Compound Identification

SMILES

Cl.Cl.COC1=CC2=C(SC3=C(CC2N2CCN(C)CC2)C=C(Cl)C=C3)C=C1

InChIKey

InChIKey=QEYACHCVYNVFGS-UHFFFAOYSA-N

Formula

C20H25Cl3N2OS

Mass

447.84

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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 Anisoles N-methylpiperazines Aralkylamines Alkyl aryl ethers Aryl chlorides Trialkylamines Azacyclic compounds Organochlorides Hydrochlorides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Dibenzothiepin - Diarylthioether - Aryl thioether - Anisole - Phenol ether - N-methylpiperazine - N-alkylpiperazine - Alkyl aryl ether - Aralkylamine - Benzenoid - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Tertiary aliphatic amine - Tertiary amine - Ether - Thioether - Azacycle - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrochloride - Organic oxygen compound - Amine - Hydrocarbon derivative - 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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