Compound Identification
SMILES
CCOC(=O)C1=C(NC(=S)NC2=NN(CC3=CC=C(Cl)C=C3)C=C2)SC2=C1CCCCC2
InChIKey
InChIKey=TVHHTDRGGAEKAC-UHFFFAOYSA-N
Formula
C23H25ClN4O2S2
Mass
489.05
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Cycloheptathiophenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Cycloheptathiophenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cycloheptathiophenes
Alternative Parents
Thiophene carboxylic acids and derivatives Chlorobenzenes Imidolactams Aryl chlorides Vinylogous amides Pyrazoles Heteroaromatic compounds Thioureas Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cycloheptathiophene - Thiophene carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Vinylogous amide - Thiophene - Carboxylic acid ester - Thiourea - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cycloheptathiophenes. These are polycyclic compounds containing a thiophene ring fused to a 7 member carbocyclic moiety. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom.
External Descriptors
Not available