Compound Identification
SMILES
CN1C(=S)SC(N2OC3C(C2C2=CC(=CC=C2)[N+]([O-])=O)C(=O)N(C3=O)C2=CC=CC=C2)C1(C)C
InChIKey
InChIKey=XCPXSWDILTVGFP-UHFFFAOYSA-N
Formula
C23H22N4O5S2
Mass
498.57
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
Phenylisoxazolidines Nitrobenzenes Nitroaromatic compounds Thiazolidinethiones Pyrrolidine-2-ones N-substituted carboxylic acid imides Pyrroles Cyclic dithiocarbamic acid esters Dicarboximides Lactams Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds N-organohydroxylamines Organic oxoazanium compounds Organosulfur compounds Carbonyl compounds Organic zwitterions Organic salts Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylisoxazolidine - 1-phenylpyrrolidine - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Pyrrolidone - 2-pyrrolidone - Thiazolidinethione - Benzenoid - Carboxylic acid imide - Dicarboximide - Isoxazolidine - Cyclic dithiocarbamic acid ester - Pyrrole - Thiazolidine - Dithiocarbamic acid ester - Organic nitro compound - Lactam - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - N-organohydroxylamine - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Oxacycle - Organic oxygen compound - Organic salt - Carbonyl group - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - 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