Structure Information
Structure

Compound Identification

SMILES

O=C1NC2=CC=CC=C2N1CCCN1CCN(CC1)C1CC2=CC=CC=C2SC2=CC=CC=C12

InChIKey

InChIKey=NPNSYPGZTITPMN-UHFFFAOYSA-N

Formula

C28H30N4OS

Mass

470.64

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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 N-alkylpiperazines Aralkylamines N-substituted imidazoles Benzenoids Heteroaromatic compounds Ureas Trialkylamines Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

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