Compound Identification
SMILES
CC(C)N(C(C)C)C(=O)OC1=C(SC2=C(C=CC=C2Cl)N2C=CC=C12)C1=CC=CC=C1
InChIKey
InChIKey=ZMLINCHHTRWKKL-UHFFFAOYSA-N
Formula
C25H25ClN2O2S
Mass
453.0
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
Aryl thioethers Benzene and substituted derivatives Aryl chlorides Pyrroles Heteroaromatic compounds Enol esters Carbamate esters Thioenol ethers Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Aryl thioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Enol ester - Pyrrole - Carbamic acid ester - Heteroaromatic compound - Thioenolether - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - 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