1-(2-methyl-5-methylsulfanyl-phenyl)carbonyl-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 1-(2-methyl-5-methylsulfanyl-phenyl)carbonyl-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: N-benzyl-1-(2-methyl-5-methylsulfanyl-benzoyl)piperidine-4-carboxamide CAS Name: 1-[[2-methyl-5-(methylthio)phenyl]-oxomethyl]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: N-benzyl-1-(2-methyl-5-methylsulfanylbenzoyl)piperidine-4-carboxamide Traditional Name: N-benzyl-1-[2-methyl-5-(methylthio)benzoyl]isonipecotamide Formula: C22H26N2O2S MolecularWeight: 382.51904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC)C(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)SC)C(=O)N2CCC(CC2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O2S/c1-16-8-9-19(27-2)14-20(16)22(26)24-12-10-18(11-13-24)21(25)23-15-17-6-4-3-5-7-17/h3-9,14,18H,10-13,15H2,1-2H3,(H,23,25)