1-[(4-methylphenyl)methyl]-5-oxidanylidene-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyrrolidine-3-carboxamide

Systemtic Name: 1-[(4-methylphenyl)methyl]-5-oxidanylidene-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyrrolidine-3-carboxamide Openeye Name: 5-oxo-1-(p-tolylmethyl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]pyrrolidine-3-carboxamide CAS Name: 1-[(4-methylphenyl)methyl]-5-oxo-N-[3-(2-thiophen-2-ylethynyl)phenyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-[(4-methylphenyl)methyl]-5-oxo-N-[3-(2-thiophen-2-ylethynyl)phenyl]pyrrolidine-3-carboxamide Traditional Name: 5-keto-1-(4-methylbenzyl)-N-[3-[2-(2-thienyl)ethynyl]phenyl]pyrrolidine-3-carboxamide Formula: C25H22N2O2S MolecularWeight: 414.51938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)CN2CC(CC2=O)C(=O)NC3=CC=CC(=C3)C#CC4=CC=CS4

InChI

InChI=1S/C25H22N2O2S/c1-18-7-9-20(10-8-18)16-27-17-21(15-24(27)28)25(29)26-22-5-2-4-19(14-22)11-12-23-6-3-13-30-23/h2-10,13-14,21H,15-17H2,1H3,(H,26,29)