Compound Identification
SMILES
COC1=CC=C(C=C1)C1CC(NC2=C(S1)C(Cl)=CC=C2)=C1C=CC(=O)C=C1
InChIKey
InChIKey=CKDRPRKDSSSPSW-UHFFFAOYSA-N
Formula
C22H18ClNO2S
Mass
395.9
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
Phenoxy compounds P-quinomethanes Methoxybenzenes Anisoles Alkylarylthioethers Alkyl aryl ethers Aryl chlorides Enamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Anisole - Phenoxy compound - Aryl thioether - P-quinomethane - Phenol ether - Quinomethane - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Cyclic ketone - Ketone - Thioether - Azacycle - Enamine - Ether - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Amine - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen 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