Structure Information
Structure

Compound Identification

SMILES

OC(=O)C=CC(O)=O.OC(=O)C=CC(O)=O.COCCN1CCN(CC1)C1CC2=C(SC3=CC=CC=C13)C=CC(Cl)=C2

InChIKey

InChIKey=XXWFPYSDOMJTNF-UHFFFAOYSA-N

Formula

C29H33ClN2O9S

Mass

621.1

Export to:

JSON SDF CSV

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 - Aralkylamine - Aryl chloride - Aryl halide - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Tertiary amine - Tertiary aliphatic amine - Thioether - Azacycle - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Ether - Carbonyl group - Organic nitrogen compound - Organohalogen compound - Organochloride - Organic oxygen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Amine - 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

Previous Back Next