Compound Identification
SMILES
O=C(CCCN1C(=O)C2=CC=CC3=C2C(=CC=C3)C1=O)OCC1=CC(=O)N2C=CSC2=N1
InChIKey
InChIKey=UDWSTIBKCWCLBL-UHFFFAOYSA-N
Formula
C23H17N3O5S
Mass
447.47
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 Pyrimidones Fatty acid esters N-substituted carboxylic acid imides Thiazoles Heteroaromatic compounds Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Naphthalene - Fatty acid ester - Pyrimidone - Carboxylic acid imide, n-substituted - Pyrimidine - Benzenoid - Fatty acyl - Thiazole - Heteroaromatic compound - Azole - Carboxylic acid imide - Carboxylic acid ester - Lactam - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organonitrogen compound - 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