Compound Identification
SMILES
CC1=CC2=C(C=C1)N=C(S2)C1=CC=C(C=C1)N1C(=O)CC(N2CCSCC2)C1=O
InChIKey
InChIKey=REHUHDHAJYEGFV-UHFFFAOYSA-N
Formula
C22H21N3O2S2
Mass
423.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolidines
- Subclass Phenylpyrrolidines
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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
Alpha amino acids and derivatives Benzothiazoles Thiomorpholines Pyrrolidine-2-ones N-substituted carboxylic acid imides Benzene and substituted derivatives Thiazoles Pyrroles Heteroaromatic compounds Dicarboximides Trialkylamines Lactams Azacyclic compounds Dialkylthioethers Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-phenylpyrrolidine - Alpha-amino acid or derivatives - 1,3-benzothiazole - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - Benzenoid - 1,4-thiazinane - Azole - Carboxylic acid imide - Dicarboximide - Heteroaromatic compound - Pyrrole - Thiazole - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Lactam - Thioether - Dialkylthioether - Azacycle - Carboxylic acid derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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