Compound Identification
SMILES
COC(=O)C1=CC=C(CSC2=NN=C(CCCCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O)O2)C=C1
InChIKey
InChIKey=HHMSLPVRXCMFHW-UHFFFAOYSA-N
Formula
C28H25N3O5S
Mass
515.58
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 Benzoic acid esters Benzoyl derivatives Alkylarylthioethers N-substituted carboxylic acid imides Methyl esters Heteroaromatic compounds 1,3,4-oxadiazoles Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoquinolone - Naphthalene - Benzoate ester - Benzoic acid or derivatives - Aryl thioether - Benzoyl - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Carboxylic acid imide, n-substituted - 1,3,4-oxadiazole - Methyl ester - Carboxylic acid imide - Oxadiazole - Azole - Heteroaromatic compound - Carboxylic acid ester - Oxacycle - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Thioether - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - 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