Structure Information
Structure

Compound Identification

SMILES

FC1=CC=C(CN2CCN(CC2)C2CC3=C(SC4=C2C=C(Cl)C=C4)C=C(F)C=C3)C=C1

InChIKey

InChIKey=SEPNTYFXXLNJOD-UHFFFAOYSA-N

Formula

C25H23ClF2N2S

Mass

456.98

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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 Phenylmethylamines Benzylamines N-alkylpiperazines Fluorobenzenes Aralkylamines Aryl fluorides Aryl chlorides Trialkylamines Azacyclic compounds Organofluorides Organochlorides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Dibenzothiepin - Diarylthioether - Benzylamine - Aryl thioether - Phenylmethylamine - Fluorobenzene - Aralkylamine - Halobenzene - N-alkylpiperazine - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - Piperazine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Thioether - Organohalogen compound - Hydrocarbon derivative - Amine - Organochloride - Organofluoride - Organonitrogen 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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