Compound Identification
SMILES
ClC1=CC=C(C=C1)C1CC(=NC2=CC=CC=C2S1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=YCUQJJWNEVWDJA-UHFFFAOYSA-N
Formula
C21H15BrClNS
Mass
428.77
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
Chlorobenzenes Bromobenzenes Alkylarylthioethers Aryl chlorides Aryl bromides Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organochlorides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Aryl thioether - Alkylarylthioether - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Ketimine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organochloride - Imine - Organobromide - 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