Compound Identification
SMILES
Cl.Cl.CCCC1=CC2=C(S1)SC1=CC=CC=C1N=C2N1CCN[C@@H](CCC2=CC=C(OC)C=C2)C1
InChIKey
InChIKey=HBWQCSXGLMNZNW-FJSYBICCSA-N
Formula
C27H33Cl2N3OS2
Mass
550.6
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
Diarylthioethers 2,3,5-trisubstituted thiophenes Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Aralkylamines Piperazines Imidolactams Heteroaromatic compounds Carboxamidines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Dialkylamines Hydrocarbon derivatives Hydrochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Diarylthioether - Phenoxy compound - Aryl thioether - Anisole - 2,3,5-trisubstituted thiophene - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Imidolactam - 1,4-diazinane - Piperazine - Thiophene - Heteroaromatic compound - Amidine - Azacycle - Carboxylic acid amidine - Secondary aliphatic amine - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Thioether - Hydrochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxygen compound - 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