Compound Identification
SMILES
NNC1=NC2=C(C=C(CCC3=CC=CC=C3)S2)C(=NC1)C1=CC=CC=C1Cl
InChIKey
InChIKey=BOPYTKMQLPULNQ-UHFFFAOYSA-N
Formula
C21H19ClN4S
Mass
394.92
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 Imidolactams Aryl chlorides Heteroaromatic compounds Ketimines Amidrazones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Amidines Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thieno-para-diazepine - 2,3,5-trisubstituted thiophene - Para-diazepine - Chlorobenzene - Halobenzene - Aryl chloride - Imidolactam - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Carboxylic acid amidrazone - Ketimine - Amidine - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organochloride - Imine - 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