Structure Information
Structure

Compound Identification

SMILES

CC(C)C1=CC=C(C=C1)C1N(C2=NN=CS2)C(=O)C(=O)\C1=C(/O)C1=CC=C(C)C=C1

InChIKey

InChIKey=QXBYQHKCNHYPFC-ZZEZOPTASA-N

Formula

C23H21N3O3S

Mass

419.5

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrrolidines

Subclass

Phenylpyrrolidines

Intermediate Tree Nodes

Not available

Direct Parent

Phenylpyrrolidines

Alternative Parents

Aromatic monoterpenoids Monocyclic monoterpenoids Phenylpropanes Cumenes Toluenes Pyrrolidine-3-ones Pyrrolidine-2-ones Vinylogous acids Thiadiazoles Tertiary carboxylic acid amides Pyrroles Heteroaromatic compounds Lactams Cyclic ketones Azacyclic compounds Enols Organic oxides Hydrocarbon derivatives Organonitrogen compounds

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

2-phenylpyrrolidine - P-cymene - Aromatic monoterpenoid - Monocyclic monoterpenoid - Monoterpenoid - Cumene - Phenylpropane - Toluene - Benzenoid - 3-pyrrolidone - 2-pyrrolidone - Pyrrolidone - Monocyclic benzene moiety - Vinylogous acid - Thiadiazole - Tertiary carboxylic acid amide - Pyrrole - Heteroaromatic compound - Azole - Cyclic ketone - Carboxamide group - Ketone - Lactam - Enol - Carboxylic acid derivative - Azacycle - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen 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

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