Compound Identification
SMILES
C([NH+]1CC[NH+](CC2=CC3=C(OCO3)C=C2)CC1)C1=CC=CS1
InChIKey
InChIKey=DJJNSUOHPNMDAU-UHFFFAOYSA-P
Formula
C17H22N2O2S
Mass
318.43
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-alkylpiperazines Aralkylamines Benzenoids Thiophenes Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Benzenoid - Heteroaromatic compound - Thiophene - Tertiary amine - Tertiary aliphatic amine - Acetal - Oxacycle - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Organic cation - 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