Structure Information
Structure

Compound Identification

SMILES

CC(=O)C1=CC2=C(SC3=C(CC2N2CCN(CCO)CC2)C=CC(F)=C3)C=C1

InChIKey

InChIKey=JHRDVTSGNYBZOX-UHFFFAOYSA-N

Formula

C22H25FN2O2S

Mass

400.51

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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 Acetophenones Aryl alkyl ketones N-alkylpiperazines Aralkylamines Aryl fluorides Trialkylamines 1,2-aminoalcohols Azacyclic compounds Primary alcohols Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Dibenzothiepin - Diarylthioether - Acetophenone - Aryl thioether - Aryl ketone - Aryl alkyl ketone - N-alkylpiperazine - Aralkylamine - Aryl fluoride - Aryl halide - 1,4-diazinane - Piperazine - Benzenoid - Tertiary aliphatic amine - 1,2-aminoalcohol - Tertiary amine - Ketone - Azacycle - Thioether - Alkanolamine - Organofluoride - Organohalogen compound - Primary alcohol - Organic oxygen compound - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic oxide - 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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