Structure Information
Structure

Compound Identification

SMILES

CCOC1=C\C(=C\NN2CCN(CC2)C2CC3=CC=CC=C3SC3=C2C=C(Cl)C=C3)C=CC1=O

InChIKey

InChIKey=YRRLMOKGXAYXAK-VHEBQXMUSA-N

Formula

C27H28ClN3O2S

Mass

494.05

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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 P-quinomethanes N-alkylpiperazines Aralkylamines Benzenoids Aryl chlorides Trialkylamines Azacyclic compounds Alkylhydrazines Organochlorides Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Dibenzothiepin - Diarylthioether - P-quinomethane - Quinomethane - Aryl thioether - Aralkylamine - N-alkylpiperazine - Aryl chloride - Benzenoid - Aryl halide - Piperazine - 1,4-diazinane - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Ketone - Alkylhydrazine - Azacycle - Thioether - Organic oxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Hydrazine derivative - Organic nitrogen compound - Amine - 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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