Compound Identification
SMILES
CC1=NN=C2CN=C(C3=C(SC(=C3)C(=O)N3CCOCC3)N12)C1=CC=CC=C1Cl
InChIKey
InChIKey=AZHYLABGKBWMMK-UHFFFAOYSA-N
Formula
C20H18ClN5O2S
Mass
427.91
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
Morpholine carboxylic acids and derivatives Thiophene carboxamides 2,3,5-trisubstituted thiophenes 2-heteroaryl carboxamides 1,4-diazepines Chlorobenzenes Aryl chlorides Triazoles Tertiary carboxylic acid amides Heteroaromatic compounds Ketimines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organochlorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thieno-para-diazepine - Morpholine-4-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Para-diazepine - Halobenzene - Chlorobenzene - Morpholine - Aryl chloride - Oxazinane - Aryl halide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiophene - 1,2,4-triazole - Tertiary carboxylic acid amide - Ketimine - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Dialkyl ether - Ether - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Imine - Organooxygen compound - Organonitrogen compound - 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