Compound Identification
SMILES
CCN1C(CNC(=O)C2=CC3=C(OCO3)C=C2)=NN=C1SCC(=O)NC1=CC=C(I)C=C1
InChIKey
InChIKey=CKZWWKDTBWSVKA-UHFFFAOYSA-N
Formula
C21H20IN5O4S
Mass
565.39
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
Anilides N-arylamides Alkylarylthioethers Iodobenzenes Aryl iodides Triazoles Heteroaromatic compounds Secondary carboxylic acid amides Acetals Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Carbonyl compounds Organoiodides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Anilide - Aryl thioether - N-arylamide - Halobenzene - Iodobenzene - Alkylarylthioether - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - 1,2,4-triazole - Carboxamide group - Secondary carboxylic acid amide - Sulfenyl compound - Thioether - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Organosulfur compound - Organohalogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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