Compound Identification
SMILES
FC1=CC=CC(=C1)C1=CC2(SC3=C(N1)C=CC(Br)=C3)C(=O)NC1=CC=CC=C21
InChIKey
InChIKey=REYMYHHAJXURPH-UHFFFAOYSA-N
Formula
C22H14BrFN2OS
Mass
453.33
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
Indolines Secondary alkylarylamines Alkylarylthioethers Fluorobenzenes Aryl bromides Aryl fluorides Secondary carboxylic acid amides Amino acids and derivatives Lactams Azacyclic compounds Enamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organofluorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiazepine - Indole or derivatives - Dihydroindole - Aryl thioether - Halobenzene - Alkylarylthioether - Fluorobenzene - Secondary aliphatic/aromatic amine - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Amino acid or derivatives - Lactam - Secondary carboxylic acid amide - Carboxamide group - Thioether - Enamine - Carboxylic acid derivative - Azacycle - Secondary amine - Amine - Organohalogen compound - Organobromide - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen 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