Compound Identification
SMILES
CC1=NC(SC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)=C(C=C1)C#N
InChIKey
InChIKey=WADGTTQIAURLFD-UHFFFAOYSA-N
Formula
C23H17N3O3S
Mass
415.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass Isoquinolones and derivatives
-
Class
Isoquinolines and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoquinolines and derivatives
Subclass
Isoquinolones and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Isoquinolones and derivatives
Alternative Parents
Naphthalenes Aryl thioethers 3-pyridinecarbonitriles Methylpyridines Fatty acyl thioesters N-substituted carboxylic acid imides Heteroaromatic compounds Thioesters Carbothioic S-esters Sulfenyl compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Naphthalene - Aryl thioether - 3-pyridinecarbonitrile - Methylpyridine - Fatty acyl thioester - Carboxylic acid imide, n-substituted - Pyridine - Benzenoid - Carboxylic acid imide - Heteroaromatic compound - Thiocarboxylic acid ester - Carbothioic s-ester - Sulfenyl compound - Thiocarboxylic acid or derivatives - Nitrile - Carbonitrile - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoquinolones and derivatives. These are aromatic polycyclic compounds containing a ketone bearing isoquinoline moiety.
External Descriptors
Not available