Compound Identification
SMILES
ClC1=C(Cl)C=C(C=C1)C(CC=O)CN1CCSC2=C(C3=CC=CC=C3C=C2C#N)C1=O
InChIKey
InChIKey=QAPUBNMPFLVFOY-UHFFFAOYSA-N
Formula
C24H18Cl2N2O2S
Mass
469.38
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
Naphthalenes Dichlorobenzenes Alkylarylthioethers Vinylogous thioesters Aryl chlorides Tertiary carboxylic acid amides Alpha-hydrogen aldehydes Lactams Nitriles Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Naphthalene - Aryl thioether - 1,2-dichlorobenzene - Chlorobenzene - Alkylarylthioether - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Vinylogous thioester - Benzenoid - Alpha-hydrogen aldehyde - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Nitrile - Carbonitrile - Carboxylic acid derivative - Azacycle - Thioether - Organochloride - Organooxygen compound - Organic nitrogen compound - Organonitrogen compound - Aldehyde - Carbonyl group - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organohalogen 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