Compound Identification
SMILES
OC1=C(C=C(Br)C=C1)C1SC2=CC=CC=C2NC2=C1C(=O)C1=CC=CC=C21
InChIKey
InChIKey=VFJMXKOFQDLUGL-UHFFFAOYSA-N
Formula
C22H14BrNO2S
Mass
436.32
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
Indenes and isoindenes P-bromophenols Aryl ketones Bromobenzenes Alkylarylthioethers 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Vinylogous amides Enamines Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Indene - 4-halophenol - Aryl thioether - 4-bromophenol - Aryl ketone - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Halobenzene - Alkylarylthioether - Bromobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Vinylogous amide - Ketone - Azacycle - Enamine - Thioether - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - 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