Compound Identification
SMILES
BrC1=CC=CC(=C1)C1=NO[C@@]2(C[C@@H](SC3=CC=CC=C3N12)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=ZMQOPLKISKNVMX-IAPPQJPRSA-N
Formula
C28H21BrN2OS
Mass
513.45
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
Bromobenzenes Alkylarylthioethers Imidolactams Aryl bromides Oxacyclic compounds Azacyclic compounds Amidines Organooxygen compounds Organobromides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Aryl thioether - Bromobenzene - Halobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Imidolactam - Thioether - Amidine - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Amine - 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