Compound Identification
SMILES
CC1=CC(=CC=C1)N1NC(C2=CC=C(Br)S2)=C2CCCCN=C12
InChIKey
InChIKey=CQMKDDSMNRJCLW-UHFFFAOYSA-N
Formula
C18H18BrN3S
Mass
388.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Azepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Azepines
Alternative Parents
Toluenes 2,5-disubstituted thiophenes Imidolactams Aryl bromides Pyrazolines Heteroaromatic compounds Amidrazones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Amidines Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Azepine - Toluene - 2,5-disubstituted thiophene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Heteroaromatic compound - Pyrazoline - Thiophene - Carboxylic acid amidrazone - Azacycle - Amidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as azepines. These are organic compounds containing an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.
External Descriptors
Not available