N-(2-methoxyphenyl)-1-(2-phenylsulfanylpyridin-3-yl)carbonyl-piperidine-4-carboxamide

Systemtic Name: N-(2-methoxyphenyl)-1-(2-phenylsulfanylpyridin-3-yl)carbonyl-piperidine-4-carboxamide Openeye Name: N-(2-methoxyphenyl)-1-(2-phenylsulfanylpyridine-3-carbonyl)piperidine-4-carboxamide CAS Name: N-(2-methoxyphenyl)-1-[oxo-[2-(phenylthio)-3-pyridinyl]methyl]-4-piperidinecarboxamide IUPAC Name: N-(2-methoxyphenyl)-1-(2-phenylsulfanylpyridine-3-carbonyl)piperidine-4-carboxamide Traditional Name: N-(2-methoxyphenyl)-1-[2-(phenylthio)nicotinoyl]isonipecotamide Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2CCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2CCN(CC2)C(=O)C3=C(N=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C25H25N3O3S/c1-31-22-12-6-5-11-21(22)27-23(29)18-13-16-28(17-14-18)25(30)20-10-7-15-26-24(20)32-19-8-3-2-4-9-19/h2-12,15,18H,13-14,16-17H2,1H3,(H,27,29)