Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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