Compound Identification
SMILES
CC1=NN=C2CN=C(C3=C(SC(CCC(=O)NCCO)=C3)N12)C1=CC=CC=C1Cl
InChIKey
InChIKey=XCIBCWSIJVNUEI-UHFFFAOYSA-N
Formula
C20H20ClN5O2S
Mass
429.92
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 N-acylethanolamines 1,4-diazepines Chlorobenzenes Aryl chlorides Fatty amides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thieno-para-diazepine - 2,3,5-trisubstituted thiophene - N-acylethanolamine - Para-diazepine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Fatty amide - Benzenoid - Azole - Heteroaromatic compound - 1,2,4-triazole - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Ketimine - Azacycle - Carboxylic acid derivative - Alkanolamine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organooxygen compound - Alcohol - Imine - Primary alcohol - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen 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