Structure Information
Structure

Compound Identification

SMILES

Cl.Cl.ClC1=CC2=C(SC3=CC=CC=C3C(C2)N2CCN(CCCN3C(=O)NC4=CC=CC=C34)CC2)C=C1

InChIKey

InChIKey=LXIHFJYOGKQDIV-UHFFFAOYSA-N

Formula

C28H31Cl3N4OS

Mass

577.99

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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 Benzimidazoles Aralkylamines N-alkylpiperazines Aryl chlorides N-substituted imidazoles Benzenoids Heteroaromatic compounds Ureas Trialkylamines Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organochlorides Organooxygen compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Dibenzothiepin - Diarylthioether - Benzimidazole - Aryl thioether - N-alkylpiperazine - Aralkylamine - Aryl chloride - Aryl halide - Benzenoid - 1,4-diazinane - N-substituted imidazole - Piperazine - Heteroaromatic compound - Azole - Imidazole - Urea - Tertiary aliphatic amine - Tertiary amine - Azacycle - Thioether - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic nitrogen compound - Organic oxide - Organooxygen compound - Hydrochloride - 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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