Compound Identification
SMILES
CC1=CC2=C(NC(=O)C3CSCN3C2=O)C=C1
InChIKey
InChIKey=XWPHCGCSVBMOQB-UHFFFAOYSA-N
Formula
C12H12N2O2S
Mass
248.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzodiazepines
- Subclass 1,4-benzodiazepines
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Class
Benzodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodiazepines
Subclass
1,4-benzodiazepines
Intermediate Tree Nodes
Not available
Direct Parent
1,4-benzodiazepines
Alternative Parents
Alpha amino acids and derivatives Benzenoids Vinylogous amides Thiazolidines Tertiary carboxylic acid amides Secondary carboxylic acid amides Lactams Thiohemiaminal derivatives Dialkylthioethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Alpha-amino acid or derivatives - Benzenoid - Tertiary carboxylic acid amide - Thiazolidine - Vinylogous amide - Carboxamide group - Lactam - Secondary carboxylic acid amide - Hemithioaminal - Thioether - Carboxylic acid derivative - Dialkylthioether - Azacycle - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
External Descriptors
Not available