Compound Identification
SMILES
CCCCOC1=CC=C(NC=C(C#N)C2=NC(=CS2)C2=CC3=C(OCO3)C=C2)C=C1
InChIKey
InChIKey=UROHMGJLUCBFTB-UHFFFAOYSA-N
Formula
C23H21N3O3S
Mass
419.5
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
Aminophenyl ethers Phenoxy compounds Aniline and substituted anilines Alkyl aryl ethers 2,4-disubstituted thiazoles Heteroaromatic compounds Secondary amines Oxacyclic compounds Nitriles Enamines Azacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Aminophenyl ether - Phenol ether - Aniline or substituted anilines - Phenoxy compound - Alkyl aryl ether - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiazole - Oxacycle - Enamine - Ether - Carbonitrile - Nitrile - Azacycle - Secondary amine - Acetal - Organic oxygen compound - Organopnictogen compound - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Cyanide - Organic nitrogen 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