1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide

Systemtic Name: 1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide Openeye Name: N-[(4-methylsulfanylphenyl)methyl]-1-[[1-(p-tolylmethyl)indol-2-yl]methyl]piperidine-4-carboxamide CAS Name: 1-[[1-[(4-methylphenyl)methyl]-2-indolyl]methyl]-N-[[4-(methylthio)phenyl]methyl]-4-piperidinecarboxamide IUPAC Name: 1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]-N-[(4-methylsulfanylphenyl)methyl]piperidine-4-carboxamide Traditional Name: 1-[[1-(4-methylbenzyl)indol-2-yl]methyl]-N-[4-(methylthio)benzyl]isonipecotamide Formula: C31H35N3OS MolecularWeight: 497.6941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=CC=CC=C3C=C2CN4CCC(CC4)C(=O)NCC5=CC=C(C=C5)SC

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=CC=CC=C3C=C2CN4CCC(CC4)C(=O)NCC5=CC=C(C=C5)SC

InChI

InChI=1S/C31H35N3OS/c1-23-7-9-25(10-8-23)21-34-28(19-27-5-3-4-6-30(27)34)22-33-17-15-26(16-18-33)31(35)32-20-24-11-13-29(36-2)14-12-24/h3-14,19,26H,15-18,20-22H2,1-2H3,(H,32,35)