Compound Identification
SMILES
CC1=C(C)C(C#N)=C(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)S1
InChIKey
InChIKey=HOIJJHCOXXGLBR-CHWSQXEVSA-N
Formula
C18H21N3O3S
Mass
359.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoindoles and derivatives
-
Subclass
Isoindolines
- Level 5 Isoindolones
-
Subclass
Isoindolines
-
Class
Isoindoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoindoles and derivatives
Subclass
Isoindolines
Intermediate Tree Nodes
Not available
Direct Parent
Isoindolones
Alternative Parents
Isoindoles N-arylamides Pyrrolidine-2-ones N-substituted carboxylic acid imides N-alkylpyrrolidines Thiophenes Heteroaromatic compounds Dicarboximides Secondary carboxylic acid amides Lactams Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoindolone - Isoindole - N-arylamide - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Carboxylic acid imide - Dicarboximide - Pyrrolidine - Thiophene - Heteroaromatic compound - Carboxamide group - Lactam - Secondary carboxylic acid amide - Nitrile - Carbonitrile - Carboxylic acid derivative - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Cyanide - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.
External Descriptors
Not available