Structure Information
Structure

Compound Identification

SMILES

OC1(CCN(CCCC2(CNC(=O)OC3=CC=CC=C3)C3=CC=CC=C3CSC3=CC=CC=C23)CC1)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=PZSLQKFYZQOEGK-UHFFFAOYSA-N

Formula

C36H37ClN2O3S

Mass

613.21

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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

Phenylpiperidines Phenoxy compounds Chlorobenzenes Aralkylamines Alkylarylthioethers Aryl chlorides Tertiary alcohols Carbamate esters Trialkylamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Dibenzothiepin - Phenylpiperidine - Phenoxy compound - Aryl thioether - Chlorobenzene - Halobenzene - Alkylarylthioether - Aralkylamine - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Piperidine - Carbamic acid ester - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Thioether - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Organic nitrogen compound - Alcohol - Carbonyl group - Organic oxide - 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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