Compound Identification
SMILES
COC1=C(OCC2=CC=C(Cl)C=C2)C=CC(C=C2SC(=S)N(C2=O)C2=CC3=C(OCO3)C=C2)=C1
InChIKey
InChIKey=XPQLJNNYNNYGLH-UHFFFAOYSA-N
Formula
C25H18ClNO5S2
Mass
511.99
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
Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Chlorobenzenes Thiazolidinethiones Aryl chlorides Acetals Oxacyclic compounds Azacyclic compounds Carboxylic acids and derivatives Organopnictogen compounds Carbonyl compounds Organosulfur compounds Organonitrogen compounds Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Anisole - Phenol ether - Methoxybenzene - Phenoxy compound - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiazolidinethione - Thiazolidine - Oxacycle - Azacycle - Carboxylic acid derivative - Acetal - Ether - Organosulfur compound - Organohalogen compound - Organochloride - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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