Structure Information
Structure

Compound Identification

SMILES

CS(O)(=O)=O.CS(O)(=O)=O.CS(O)(=O)=O.NC1=CC2=C(SC3=C(CC2N2CCN(CCO)CC2)C=CC(F)=C3)C=C1

InChIKey

InChIKey=TXKOZSJXMFMDEB-UHFFFAOYSA-N

Formula

C23H36FN3O10S4

Mass

661.79

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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-alkylpiperazines Aryl fluorides Benzenoids Alkanesulfonic acids Sulfonyls Methanesulfonates Organosulfonic acids Trialkylamines 1,2-aminoalcohols Azacyclic compounds Hydrocarbon derivatives Primary alcohols Primary amines Organic oxides Organofluorides

Molecular Framework

Not available

Substituents

Dibenzothiepin - Diarylthioether - Aryl thioether - Aralkylamine - N-alkylpiperazine - Aryl fluoride - Aryl halide - 1,4-diazinane - Piperazine - Benzenoid - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Alkanesulfonic acid - Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Alkanolamine - Thioether - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Primary alcohol - Primary amine - Alcohol - 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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