Compound Identification
SMILES
BrC1=CSC(C=C2C(=O)N(CC3=CC4=C(OCO4)C=C3)C(=O)C3=CC=CC=C23)=C1
InChIKey
InChIKey=ASQOKFIYQPLDNO-UHFFFAOYSA-N
Formula
C22H14BrNO4S
Mass
468.32
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Isoquinolines and derivatives
- Subclass 1,3-isoquinolinediones
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Class
Isoquinolines and derivatives
-
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 Benzodioxoles N-substituted carboxylic acid imides Benzenoids Aryl bromides Thiophenes Heteroaromatic compounds Dicarboximides Acetals Azacyclic compounds Oxacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-isoquinolinedione - Isoquinolone - Tetrahydroisoquinoline - Benzodioxole - Aryl bromide - Aryl halide - Benzenoid - Carboxylic acid imide, n-substituted - Heteroaromatic compound - Thiophene - Carboxylic acid imide - Dicarboximide - Acetal - Oxacycle - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - 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