Compound Identification
SMILES
COC(=O)C1=C(NC2=CC=CC=C2NC1=O)SC
InChIKey
InChIKey=SSZLHEMEFICBTF-UHFFFAOYSA-N
Formula
C12H12N2O3S
Mass
264.3
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
1,4-diazepines Vinylogous thioesters Benzenoids Vinylogous amides Enoate esters Methyl esters Lactams Ketene acetals Secondary carboxylic acid amides Monocarboxylic acids and derivatives Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodiazepine - Para-diazepine - Vinylogous thioester - Benzenoid - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxamide group - Carboxylic acid ester - Ketene acetal or derivatives - Lactam - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Sulfenyl compound - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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