1-(4-methylsulfanylphenyl)-5-oxidanylidene-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide

Systemtic Name: 1-(4-methylsulfanylphenyl)-5-oxidanylidene-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide Openeye Name: 1-(4-methylsulfanylphenyl)-5-oxo-N-[[2-(1-piperidylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide CAS Name: 1-[4-(methylthio)phenyl]-5-oxo-N-[[2-(1-piperidinylmethyl)phenyl]methyl]-3-pyrrolidinecarboxamide IUPAC Name: 1-(4-methylsulfanylphenyl)-5-oxo-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide Traditional Name: 5-keto-1-[4-(methylthio)phenyl]-N-[2-(piperidinomethyl)benzyl]pyrrolidine-3-carboxamide Formula: C25H31N3O2S MolecularWeight: 437.59754

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CC=CC=C3CN4CCCCC4

Isomeric SMILES

CSC1=CC=C(C=C1)N2CC(CC2=O)C(=O)NCC3=CC=CC=C3CN4CCCCC4

InChI

InChI=1S/C25H31N3O2S/c1-31-23-11-9-22(10-12-23)28-18-21(15-24(28)29)25(30)26-16-19-7-3-4-8-20(19)17-27-13-5-2-6-14-27/h3-4,7-12,21H,2,5-6,13-18H2,1H3,(H,26,30)