Structure Information
Structure

Compound Identification

SMILES

CS(O)(=O)=O.CS(O)(=O)=O.CC(C)C1=CC2=C(C=C1)S(=O)C1=C(CC2N2CCNCC2)C=CC(F)=C1

InChIKey

InChIKey=HWPVOIDZQPCYIN-UHFFFAOYSA-N

Formula

C23H33FN2O7S3

Mass

564.7

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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

Cumenes Aralkylamines N-alkylpiperazines Aryl fluorides Organosulfonic acids Alkanesulfonic acids Methanesulfonates Sulfonyls Trialkylamines Sulfoxides Sulfinyl compounds Dialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives

Molecular Framework

Not available

Substituents

Dibenzothiepin - Cumene - Aralkylamine - N-alkylpiperazine - Aryl fluoride - Aryl halide - 1,4-diazinane - Benzenoid - Piperazine - Methanesulfonate - Alkanesulfonic acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tertiary aliphatic amine - Tertiary amine - Sulfoxide - Sulfinyl compound - Secondary amine - Secondary aliphatic amine - Azacycle - Organic oxygen compound - Organohalogen compound - Amine - Organofluoride - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organosulfur 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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