Compound Identification
SMILES
[Br-].[Br-].C[C@@]12C[C@@H](C3=CC=CC=C3O1)[N+]1=C(N2)SCC2=CC3=C(CSC4=[N+](C3)[C@@H]3C[C@](C)(N4)OC4=CC=CC=C34)C=C2C1
InChIKey
InChIKey=JJSRJULOELTHCN-ZLYMMBKCSA-N
Formula
C32H32Br2N4O2S2
Mass
728.56
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
1-benzopyrans Meta thiazepines Hydropyrimidines Benzenoids Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Carboximidamides Azacyclic compounds Organooxygen compounds Organic bromide salts Hydrocarbon derivatives Amines Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Chromane - Benzopyran - 1-benzopyran - Meta-thiazepine - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Benzenoid - Propargyl-type 1,3-dipolar organic compound - Azacycle - Carboximidamide - Oxacycle - Organic 1,3-dipolar compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxygen compound - Organic salt - Organic bromide salt - Organic cation - 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