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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Isoquinolines and derivatives
- Subclass 1,3-isoquinolinediones
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Class
Isoquinolines and derivatives
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Superclass
Organoheterocyclic compounds
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
Isoquinolones and derivatives Tetrahydroisoquinolines N-phenylureas Sulfonylureas Secondary alkylarylamines 2,5-disubstituted thiophenes Chlorobenzenes N-substituted carboxylic acid imides Aryl chlorides Organosulfonic acids and derivatives Aminosulfonyl compounds Heteroaromatic compounds Dicarboximides Amino acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
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