Compound Identification
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)C1=C(C=CC3=C1N2CCCS3)C1=CC(Cl)=C(Cl)C=C1
InChIKey
InChIKey=BGKOVKYKVWYAGN-UHFFFAOYSA-N
Formula
C25H26Cl2N2O2S
Mass
489.46
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
3-alkylindoles Dichlorobenzenes Alkylarylthioethers Aryl chlorides Pyrroles Heteroaromatic compounds Carbamate esters Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - 3-alkylindole - Indole - Indole or derivatives - Aryl thioether - 1,2-dichlorobenzene - Chlorobenzene - Alkylarylthioether - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carbamic acid ester - Pyrrole - Azacycle - Thioether - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - 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