Compound Identification
SMILES
BrC1=CC=CC(=C1)C1SC2=CC=CC=C2N=C2C1C(=O)C1=CC=CC=C21
InChIKey
InChIKey=MMLHVFADLFMJOB-UHFFFAOYSA-N
Formula
C22H14BrNOS
Mass
420.32
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
Indanones Aryl alkyl ketones Bromobenzenes Alkylarylthioethers Aryl bromides Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Indanone - Indane - Aryl thioether - Aryl alkyl ketone - Aryl ketone - Alkylarylthioether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Ketimine - Ketone - Thioether - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Imine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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