N-(4-methylsulfanylphenyl)-2-[4-(phenylmethyl)piperidin-1-yl]carbonyl-pyrrolidine-1-carboxamide

Systemtic Name: N-(4-methylsulfanylphenyl)-2-[4-(phenylmethyl)piperidin-1-yl]carbonyl-pyrrolidine-1-carboxamide Openeye Name: 2-(4-benzylpiperidine-1-carbonyl)-N-(4-methylsulfanylphenyl)pyrrolidine-1-carboxamide CAS Name: N-[4-(methylthio)phenyl]-2-[oxo-[4-(phenylmethyl)-1-piperidinyl]methyl]-1-pyrrolidinecarboxamide IUPAC Name: 2-(4-benzylpiperidine-1-carbonyl)-N-(4-methylsulfanylphenyl)pyrrolidine-1-carboxamide Traditional Name: 2-(4-benzylpiperidine-1-carbonyl)-N-[4-(methylthio)phenyl]pyrrolidine-1-carboxamide Formula: C25H31N3O2S MolecularWeight: 437.59754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)N2CCCC2C(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)N2CCCC2C(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H31N3O2S/c1-31-22-11-9-21(10-12-22)26-25(30)28-15-5-8-23(28)24(29)27-16-13-20(14-17-27)18-19-6-3-2-4-7-19/h2-4,6-7,9-12,20,23H,5,8,13-18H2,1H3,(H,26,30)