Compound Identification
SMILES
CC1=C(C)C=C(C=C1)N1CC(CC1=O)C(=O)NC1=NN=C(SCC(N)=O)S1
InChIKey
InChIKey=OEERWDUCXQGURG-UHFFFAOYSA-N
Formula
C17H19N5O3S2
Mass
405.49
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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Class
Pyrrolidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolidines
Subclass
Phenylpyrrolidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrrolidines
Alternative Parents
o-Xylenes Pyrrolidinecarboxamides N-arylamides Alkylarylthioethers Pyrrolidine-2-ones Thiadiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Pyrroles Secondary carboxylic acid amides Lactams Primary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1-phenylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Aryl thioether - Pyrrolidine-3-carboxamide - N-arylamide - O-xylene - Xylene - Alkylarylthioether - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Benzenoid - Pyrrole - Thiadiazole - Tertiary carboxylic acid amide - Azole - Heteroaromatic compound - Primary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Thioether - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - 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