Compound Identification
SMILES
CC1=NC(SC(=O)CCCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)=NC=C1
InChIKey
InChIKey=AMMZXRBIKIEJRZ-UHFFFAOYSA-N
Formula
C21H17N3O3S
Mass
391.45
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 Fatty acyl thioesters Pyrimidines and pyrimidine derivatives N-substituted carboxylic acid imides Heteroaromatic compounds Thioesters Carbothioic S-esters Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Naphthalene - Aryl thioether - Fatty acyl thioester - Carboxylic acid imide, n-substituted - Pyrimidine - Benzenoid - Carboxylic acid imide - Heteroaromatic compound - Thiocarboxylic acid ester - Carbothioic s-ester - Sulfenyl compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Carbonyl group - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen 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