Compound Identification
SMILES
CC(SC1=CC=C(C)C=C1)C(=O)N1CCN(CC2=CC3=C(OCO3)C=C2)CC1
InChIKey
InChIKey=ZSFVBRAWTMVMMX-UHFFFAOYSA-N
Formula
C22H26N2O3S
Mass
398.52
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
Thiophenol ethers Toluenes Alkylarylthioethers Aralkylamines N-alkylpiperazines Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Acetals Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Aryl thioether - Thiophenol ether - Aralkylamine - Alkylarylthioether - N-alkylpiperazine - Toluene - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Acetal - Carboxylic acid derivative - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Carbonyl group - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen 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