Structure Information
Structure

Compound Identification

SMILES

OC(=O)\C=C/C([O-])=O.CC(C)C1=CC2=C(SC3=C(C=CC=N3)C=C2N2CC[NH+](C)CC2)C=C1

InChIKey

InChIKey=VCICSRJUUOGEAX-BTJKTKAUSA-N

Formula

C25H29N3O4S

Mass

467.58

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiepins

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzothiepins

Alternative Parents

Molecular Framework

Not available

Substituents

Benzothiepin - Diarylthioether - Cumene - Aryl thioether - N-methylpiperazine - N-alkylpiperazine - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Pyridine - Unsaturated fatty acid - Benzenoid - Fatty acid - Fatty acyl - Heteroaromatic compound - Quaternary ammonium salt - Tertiary aliphatic amine - Carboxylic acid salt - Tertiary amine - Azacycle - Carboxylic acid - Carboxylic acid derivative - Thioether - Enamine - Amine - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzothiepins. These are organic compounds containing a benzene fused to a thiepine ring (a seven-membered ring with six carbon atoms and one sulfur atom).

External Descriptors

Not available

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