Compound Identification
SMILES
ClC1=CC=C(S\C=C/C(=O)NC2CN3CCC2CC3)C=C1
InChIKey
InChIKey=UEOWRBUHJNVLTL-YFHOEESVSA-N
Formula
C16H19ClN2OS
Mass
322.85
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 Chlorobenzenes Vinylogous thioesters Piperidines Aryl chlorides Acrylic acids and derivatives Trialkylamines Thioenol ethers Secondary carboxylic acid amides Amino acids and derivatives Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl thioether - Quinuclidine - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Benzenoid - Vinylogous thioester - Acrylic acid or derivatives - Tertiary aliphatic amine - Thioenolether - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Organic oxide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Amine - Hydrocarbon derivative - 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