Structure Information
Structure

Compound Identification

SMILES

COC1=C(OC)C=C2SC3=C(C=C(Cl)C=C3)C(CC2=C1)N1CCN(C)CC1

InChIKey

InChIKey=WAJPIHOBNZWCHN-UHFFFAOYSA-N

Formula

C21H25ClN2O2S

Mass

404.95

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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 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 - Piperazine - Aryl halide - 1,4-diazinane - Tertiary aliphatic amine - Tertiary amine - Thioether - Azacycle - Ether - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Organohalogen compound - Organochloride - Organonitrogen 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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