1-(3,5-dimethoxyphenyl)carbonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-(3,5-dimethoxyphenyl)carbonyl-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-(3,5-dimethoxybenzoyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-[(3,5-dimethoxyphenyl)-oxomethyl]-N-[3-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,5-dimethoxybenzoyl)-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-(3,5-dimethoxybenzoyl)-N-[3-(methylthio)phenyl]isonipecotamide Formula: C22H26N2O4S MolecularWeight: 414.51784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)SC)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)N2CCC(CC2)C(=O)NC3=CC(=CC=C3)SC)OC

InChI

InChI=1S/C22H26N2O4S/c1-27-18-11-16(12-19(14-18)28-2)22(26)24-9-7-15(8-10-24)21(25)23-17-5-4-6-20(13-17)29-3/h4-6,11-15H,7-10H2,1-3H3,(H,23,25)