Compound Identification
SMILES
CC1=NC(C2CCN(CC2)C(=O)CCC2=CC3=C(OCO3)C=C2)=C(C=C1)C(=O)NCCC1=CC=CS1
InChIKey
InChIKey=MXWJSSFHMPWDIN-UHFFFAOYSA-N
Formula
C28H31N3O4S
Mass
505.63
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
N-acylpiperidines Nicotinamides Methylpyridines Benzenoids Thiophenes Heteroaromatic compounds Tertiary carboxylic acid amides Secondary carboxylic acid amides Oxacyclic compounds Acetals Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - N-acyl-piperidine - Nicotinamide - Pyridinecarboxamide - Pyridine carboxylic acid or derivatives - Methylpyridine - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - Thiophene - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Acetal - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - 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