Compound Identification
SMILES
ClC1=CC=CC(CSC2=NC(=O)C=C(CC(=O)NCC3=CC4=C(OCO4)C=C3)N2)=C1
InChIKey
InChIKey=KLJZXEYOJHNJKL-UHFFFAOYSA-N
Formula
C21H18ClN3O4S
Mass
443.9
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Pyrimidones Alkylarylthioethers Chlorobenzenes Aryl chlorides Hydropyrimidines Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Oxacyclic compounds Acetals Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Aryl thioether - Chlorobenzene - Halobenzene - Alkylarylthioether - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available