Compound Identification
SMILES
COCCNC(=O)C1=C(C=CC(NC(=O)NC2=CC=C(SC)C=C2)=C1)N1CCCC1
InChIKey
InChIKey=RMPUKUZCNPWUAE-UHFFFAOYSA-N
Formula
C22H28N4O3S
Mass
428.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
-
Class
Pyrrolidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
2-aminobenzamides Anthranilamides N-phenylureas Aniline and substituted anilines Benzoyl derivatives Dialkylarylamines Thiophenol ethers Alkylarylthioethers Vinylogous amides Pyrroles Amino acids and derivatives Ureas Secondary carboxylic acid amides Dialkyl ethers Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrolidine - Aminobenzamide - Anthranilamide - Aminobenzoic acid or derivatives - N-phenylurea - 2-aminobenzamide - Benzamide - Benzoic acid or derivatives - Tertiary aliphatic/aromatic amine - Aryl thioether - Thiophenol ether - Benzoyl - Dialkylarylamine - Aniline or substituted anilines - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Vinylogous amide - Pyrrole - Amino acid or derivatives - Carboxamide group - Urea - Tertiary amine - Secondary carboxylic acid amide - Ether - Dialkyl ether - Carboxylic acid derivative - Sulfenyl compound - Azacycle - Thioether - Organonitrogen compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors
Not available