Compound Identification
SMILES
CC1=CC=CC=C1S\C=C/C(=O)NC1CN2CCC1CC2
InChIKey
InChIKey=KDQHLQDGSUEZLO-FLIBITNWSA-N
Formula
C17H22N2OS
Mass
302.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Quinuclidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinuclidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Quinuclidines
Alternative Parents
Aryl thioethers Toluenes Vinylogous thioesters Piperidines Acrylic acids and derivatives Trialkylamines Thioenol ethers Secondary carboxylic acid amides Amino acids and derivatives Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl thioether - Quinuclidine - Toluene - Monocyclic benzene moiety - Piperidine - Benzenoid - Vinylogous thioester - Acrylic acid or derivatives - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Thioenolether - Tertiary aliphatic amine - Carboxylic acid derivative - Sulfenyl compound - Azacycle - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinuclidines. These are compounds containing a 1-azabicyclo[2.2.2]octane moiety.
External Descriptors
Not available