Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C/C(O)=O.OC(=O)\C=C/C(O)=O.CC(C)C1=CC2=C(SC3=C(CC2N2CCN(CCO)CC2)C=CC(F)=C3)C=C1

InChIKey

InChIKey=QOCLFWVBYMIZCS-SPIKMXEPSA-N

Formula

C31H37FN2O9S

Mass

632.7

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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

Diarylthioethers Cumenes Aralkylamines N-alkylpiperazines Unsaturated fatty acids Aryl fluorides Dicarboxylic acids and derivatives Trialkylamines 1,2-aminoalcohols Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Primary alcohols

Molecular Framework

Not available

Substituents

Dibenzothiepin - Diarylthioether - Cumene - Aryl thioether - N-alkylpiperazine - Aralkylamine - Aryl fluoride - Aryl halide - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Tertiary amine - 1,2-aminoalcohol - Tertiary aliphatic amine - Carboxylic acid derivative - Azacycle - Thioether - Carboxylic acid - Alkanolamine - Primary alcohol - Organic oxygen compound - Amine - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Alcohol - Hydrocarbon derivative - Carbonyl group - 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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