Structure Information
Structure

Compound Identification

SMILES

CS(O)(=O)=O.CS(O)(=O)=O.CN1CCN(CC1)C1CC2=CC=CC=C2SC2=C(F)C=C(Cl)C=C12

InChIKey

InChIKey=IVBZDVOZVZJZLI-UHFFFAOYSA-N

Formula

C21H28ClFN2O6S3

Mass

555.09

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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 Aralkylamines N-methylpiperazines Aryl chlorides Aryl fluorides Benzenoids Sulfonyls Organosulfonic acids Alkanesulfonic acids Methanesulfonates Trialkylamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides

Molecular Framework

Not available

Substituents

Dibenzothiepin - Diarylthioether - Aryl thioether - Aralkylamine - N-alkylpiperazine - N-methylpiperazine - Aryl chloride - 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 amine - Tertiary aliphatic amine - Azacycle - Thioether - Organic nitrogen compound - Organosulfur compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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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