Compound Identification
SMILES
CC(C)C1=CC=C(CCC2=CC3=C(S2)N2C(C)=NN=C2CN=C3C2=CC=CC=C2Cl)C=C1
InChIKey
InChIKey=OEFHIXQWKZRWKQ-UHFFFAOYSA-N
Formula
C26H25ClN4S
Mass
461.02
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
Aromatic monoterpenoids Phenylpropanes Cumenes 2,3,5-trisubstituted thiophenes Chlorobenzenes 1,4-diazepines Aryl chlorides Triazoles Heteroaromatic compounds Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
P-cymene - Aromatic monoterpenoid - Monoterpenoid - Thieno-para-diazepine - Cumene - Phenylpropane - 2,3,5-trisubstituted thiophene - Para-diazepine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - 1,2,4-triazole - Thiophene - Ketimine - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organohalogen compound - Imine - Hydrocarbon derivative - Organic nitrogen compound - Organochloride - Organonitrogen 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