Structure Information
Structure

Compound Identification

SMILES

CCNC1=CC2=C(C=C1)C(=O)N(C(=O)C2)C1=C(Cl)C=C(NC(=O)NS(=O)(=O)C2=CC=C(Cl)S2)C=C1

InChIKey

InChIKey=BTXPBYPBKTWISU-UHFFFAOYSA-N

Formula

C22H18Cl2N4O5S2

Mass

553.43

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Isoquinolines and derivatives

Subclass

1,3-isoquinolinediones

Intermediate Tree Nodes

Not available

Direct Parent

1,3-isoquinolinediones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1,3-isoquinolinedione - Isoquinolone - N-phenylurea - Tetrahydroisoquinoline - Chlorobenzene - Halobenzene - 2,5-disubstituted thiophene - Sulfonylurea - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Dicarboximide - Heteroaromatic compound - Aminosulfonyl compound - Thiophene - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Amino acid or derivatives - Secondary amine - Carboxylic acid derivative - Azacycle - Organohalogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1,3-isoquinolinediones. These are isoquinoline derivatives carrying one C=O group at positions 1, and 3 respectively.

External Descriptors

Not available

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