Compound Identification
SMILES
O=C(NC1CN2CCC1CC2)C1=CC=C(O1)C1=CC=C(C=C1)C1=NC=CS1
InChIKey
InChIKey=NLLJIHOTVYTJRC-UHFFFAOYSA-N
Formula
C21H21N3O2S
Mass
379.48
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
Furoic acid and derivatives 2-heteroaryl carboxamides Piperidines Benzene and substituted derivatives Thiazoles Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-heteroaryl carboxamide - Furoic acid or derivatives - Quinuclidine - Monocyclic benzene moiety - Piperidine - Benzenoid - Azole - Furan - Heteroaromatic compound - Thiazole - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Oxacycle - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Amine - Organic nitrogen compound - Organic oxygen compound - 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