N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-[2-(phenylmethylsulfanyl)ethanoyl]piperidin-4-yl]pyridine-3-carboxamide

Systemtic Name: N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-[2-(phenylmethylsulfanyl)ethanoyl]piperidin-4-yl]pyridine-3-carboxamide Openeye Name: 2-[1-(2-benzylsulfanylacetyl)-4-piperidyl]-N-[(2-ethoxyphenyl)methyl]-6-methyl-pyridine-3-carboxamide CAS Name: N-[(2-ethoxyphenyl)methyl]-6-methyl-2-[1-[1-oxo-2-(phenylmethylthio)ethyl]-4-piperidinyl]-3-pyridinecarboxamide IUPAC Name: 2-[1-(2-benzylsulfanylacetyl)piperidin-4-yl]-N-[(2-ethoxyphenyl)methyl]-6-methylpyridine-3-carboxamide Traditional Name: 2-[1-[2-(benzylthio)acetyl]-4-piperidyl]-N-(2-ethoxybenzyl)-6-methyl-nicotinamide Formula: C30H35N3O3S MolecularWeight: 517.6822

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1CNC(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)CSCC4=CC=CC=C4

Isomeric SMILES

CCOC1=CC=CC=C1CNC(=O)C2=C(N=C(C=C2)C)C3CCN(CC3)C(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C30H35N3O3S/c1-3-36-27-12-8-7-11-25(27)19-31-30(35)26-14-13-22(2)32-29(26)24-15-17-33(18-16-24)28(34)21-37-20-23-9-5-4-6-10-23/h4-14,24H,3,15-21H2,1-2H3,(H,31,35)