Compound Identification
SMILES
CS(=O)(=O)O[C@@H]1C[C@@H]2N(C1)C(=S)C1=CC=CC=C1N=C2NC1CCCC1
InChIKey
InChIKey=BNBDWDFUBMQAEK-CJNGLKHVSA-N
Formula
C18H23N3O3S2
Mass
393.52
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
Sulfonic acid esters Organosulfonic acid esters Benzenoids Imidolactams Thiolactams Sulfonyls Pyrrolidines Methanesulfonates Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Carboxamidines Hydrocarbon derivatives Organic oxides Organooxygen compounds Thiocarbonyl compounds Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,4-benzodiazepine - Sulfonic acid ester - Organosulfonic acid ester - Benzenoid - Imidolactam - Methanesulfonate - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiolactam - Amidine - Carboxylic acid amidine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Thiocarbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - 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