Compound Identification
SMILES
CN(C)CCN1C(=O)C2=CC=CC3=CC(NC(=S)NC4=CC=C(C=C4)C#N)=CC(C1=O)=C23
InChIKey
InChIKey=KMALXUYWHYBVMU-UHFFFAOYSA-N
Formula
C24H21N5O2S
Mass
443.53
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 N-phenylthioureas Benzonitriles N-substituted carboxylic acid imides Trialkylamines Thioureas Amino acids and derivatives Nitriles Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - N-phenylthiourea - Naphthalene - Benzonitrile - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Thiourea - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxylic acid derivative - Nitrile - Carbonitrile - Azacycle - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Cyanide - Amine - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen 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