Structure Information
Structure

Compound Identification

SMILES

CC1=CN=C(CN2CC[C@H](SC3=CC=CC=C23)C2=CC=CC=C2C(F)(F)F)N1

InChIKey

InChIKey=KFKLRXJXEXHSFQ-SFHVURJKSA-N

Formula

C21H20F3N3S

Mass

403.47

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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 - Trifluoromethylbenzene - Aryl thioether - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aralkylamine - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Imidazole - Tertiary amine - Thioether - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Alkyl halide - Alkyl fluoride - 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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