Compound Identification
SMILES
CN1C(=O)C(C#N)=C(C)C(C=C2SC(=S)N(CC3=CC4=C(OCO4)C=C3)C2=O)=C1N1CCCCCC1
InChIKey
InChIKey=PARAKMNZHTZLNI-UHFFFAOYSA-N
Formula
C26H26N4O4S2
Mass
522.64
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
3-pyridinecarbonitriles Dialkylarylamines Pyridinones Aminopyridines and derivatives Azepanes Methylpyridines Dihydropyridines Thiazolidinethiones Benzenoids Cyclic dithiocarbamic acid esters Heteroaromatic compounds Lactams Nitriles Oxacyclic compounds Carboxylic acids and derivatives Azacyclic compounds Acetals Carbonyl compounds Organic oxides Organopnictogen compounds Organosulfur compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Dialkylarylamine - 3-pyridinecarbonitrile - Aminopyridine - Azepane - Dihydropyridine - Methylpyridine - Pyridinone - Hydropyridine - Pyridine - Thiazolidinethione - Benzenoid - Cyclic dithiocarbamic acid ester - Thiazolidine - Heteroaromatic compound - Dithiocarbamic acid ester - Lactam - Acetal - Azacycle - Oxacycle - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Cyanide - Organopnictogen compound - Organosulfur compound - Carbonyl group - Organic oxygen compound - Organic oxide - 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