Compound Identification
SMILES
CC(C)NC(=O)CCC1=CC2=C(S1)N1C(C)=NN=C1CN=C2C1=CC=CC=C1Cl
InChIKey
InChIKey=XXIZNRTUEJEKML-UHFFFAOYSA-N
Formula
C21H22ClN5OS
Mass
427.95
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Thienodiazepines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thienodiazepines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thienodiazepines
Alternative Parents
2,3,5-trisubstituted thiophenes Chlorobenzenes 1,4-diazepines Fatty amides Aryl chlorides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thieno-para-diazepine - 2,3,5-trisubstituted thiophene - Halobenzene - Para-diazepine - Chlorobenzene - Monocyclic benzene moiety - Fatty acyl - Fatty amide - Benzenoid - Aryl chloride - Aryl halide - 1,2,4-triazole - Thiophene - Heteroaromatic compound - Azole - Carboxamide group - Ketimine - Secondary carboxylic acid amide - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Imine - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thienodiazepines. These are heteropolycyclic containing a thiophene ring fused to a diazepine ring. Thiophene is 5-membered ring consisting of four carbon and one sulfur atoms. Diazepine is a 7-membered ring consisting of five carbon and two nitrogen atoms.
External Descriptors
Not available