Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)N1CCN(CCCN2N=C3CC(C)SC4=C(C=CC(Cl)=C4)N3C2=O)CC1

InChIKey

InChIKey=ZZXDIKKBNCKNQD-UHFFFAOYSA-N

Formula

C21H28ClN5O3S

Mass

466.0

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiazepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzothiazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzothiazepine - Piperazine-1-carboxylic acid - Aryl thioether - N-alkylpiperazine - Alkylarylthioether - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Benzenoid - Carbamic acid ester - 1,2,4-triazole - Heteroaromatic compound - Azole - Tertiary aliphatic amine - Tertiary amine - Thioether - Azacycle - Organic oxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Carbonyl group - Organic nitrogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzothiazepines. These are organic compounds containing a benzene fused to a thiazepine ring (a seven-membered ring with a nitrogen atom and a sulfur atom replacing two carbon atoms).

External Descriptors

Not available

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