Structure Information
Structure

Compound Identification

SMILES

OC(=O)CCC(O)=O.OCCN1CCN(CCSC2CC3=C(SC4=CC=CC=C24)C=CC(Cl)=C3)CC1

InChIKey

InChIKey=MHJKEBDNVRKRLH-UHFFFAOYSA-N

Formula

C26H33ClN2O5S2

Mass

553.13

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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

Molecular Framework

Not available

Substituents

Dibenzothiepin - Diarylthioether - Aryl thioether - N-alkylpiperazine - Aryl chloride - Aryl halide - 1,4-diazinane - Fatty acid - Dicarboxylic acid or derivatives - Benzenoid - Piperazine - 1,2-aminoalcohol - Tertiary aliphatic amine - Tertiary amine - Alkanolamine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Dialkylthioether - Sulfenyl compound - Thioether - Organohalogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Alcohol - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Primary alcohol - 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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