Compound Identification
SMILES
CC1=CC(OC2=CC3=C(NC(=S)CC(=N3)C3=CC=C(Br)C=C3)C=C2)=CC=C1
InChIKey
InChIKey=AQTHFQKDCBFDCK-UHFFFAOYSA-N
Formula
C22H17BrN2OS
Mass
437.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodiazepines
Alternative Parents
Diarylethers Phenoxy compounds Phenol ethers Toluenes Bromobenzenes 1,4-diazepines Aryl bromides Thiolactams Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Thiocarbonyl compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Diaryl ether - Phenoxy compound - Phenol ether - Para-diazepine - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiolactam - Ketimine - Propargyl-type 1,3-dipolar organic compound - Azacycle - Ether - Organic 1,3-dipolar compound - Organosulfur compound - Imine - Organohalogen compound - Organobromide - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Thiocarbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodiazepines. These are organic compounds containing a benzene ring fused to either isomers of diazepine(unsaturated seven-member heterocycle with two nitrogen atoms replacing two carbon atoms).
External Descriptors
Not available