Compound Identification
SMILES
COC1=CC=C(C=C1)[C@H]1CC(=O)[C@@H]2[C@@H](NC3=C(C=CC(C)=C3)N=C2C1)C1=CC=CS1
InChIKey
InChIKey=LPQNOVJBRRVFTH-JHTITAFHSA-N
Formula
C25H24N2O2S
Mass
416.54
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
Phenoxy compounds Methoxybenzenes Anisoles Secondary alkylarylamines Aralkylamines Alkyl aryl ethers 1,4-diazepines Thiophenes Heteroaromatic compounds Ketones Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Para-diazepine - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Ketimine - Ketone - Azacycle - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Imine - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - 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