Compound Identification
SMILES
CC(CO)CC1=CC=C(CCC2=CC3=C(S2)N2C(C)=NN=C2C(C)N=C3C2=CC=CC=C2Cl)C=C1
InChIKey
InChIKey=MWHLIBBNNAIPRH-UHFFFAOYSA-N
Formula
C28H29ClN4OS
Mass
505.08
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
Phenylpropanes 2,3,5-trisubstituted thiophenes Chlorobenzenes 1,4-diazepines Aryl chlorides Triazoles Heteroaromatic compounds Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Primary alcohols Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thieno-para-diazepine - Phenylpropane - 2,3,5-trisubstituted thiophene - Para-diazepine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiophene - Heteroaromatic compound - 1,2,4-triazole - Azole - Ketimine - Azacycle - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Primary alcohol - Organohalogen compound - Imine - Hydrocarbon derivative - Organic oxygen compound - Organochloride - Alcohol - Organonitrogen compound - Organooxygen compound - Organic nitrogen 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