Compound Identification
SMILES
Cl.CN1CCN(C[C@@H]2[C@@H](SC3=CC=CC=C3NC2=O)C2=CC=CC=C2)CC1
InChIKey
InChIKey=AYKFZKNEQPYCSY-XLCHORMMSA-N
Formula
C21H26ClN3OS
Mass
403.97
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiazepines
Alternative Parents
N-methylpiperazines Aralkylamines Alkylarylthioethers Benzene and substituted derivatives Trialkylamines Secondary carboxylic acid amides Lactams Amino acids and derivatives Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Aryl thioether - N-methylpiperazine - N-alkylpiperazine - Aralkylamine - Alkylarylthioether - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Amino acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Thioether - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Amine - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Hydrochloride - 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