2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-(4-oxidanylpiperidin-1-yl)-N-pyridin-4-yl-pyridine-3-carboxamide

Systemtic Name: 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-(4-oxidanylpiperidin-1-yl)-N-pyridin-4-yl-pyridine-3-carboxamide Openeye Name: 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-(4-hydroxy-1-piperidyl)-N-(4-pyridyl)pyridine-3-carboxamide CAS Name: 2-[(2,4-dimethoxyphenyl)methylthio]-6-(4-hydroxy-1-piperidinyl)-N-pyridin-4-yl-3-pyridinecarboxamide IUPAC Name: 2-[(2,4-dimethoxyphenyl)methylsulfanyl]-6-(4-hydroxypiperidin-1-yl)-N-pyridin-4-ylpyridine-3-carboxamide Traditional Name: 2-[(2,4-dimethoxybenzyl)thio]-6-(4-hydroxypiperidino)-N-(4-pyridyl)nicotinamide Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)CSC2=C(C=CC(=N2)N3CCC(CC3)O)C(=O)NC4=CC=NC=C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)CSC2=C(C=CC(=N2)N3CCC(CC3)O)C(=O)NC4=CC=NC=C4)OC

InChI

InChI=1S/C25H28N4O4S/c1-32-20-4-3-17(22(15-20)33-2)16-34-25-21(24(31)27-18-7-11-26-12-8-18)5-6-23(28-25)29-13-9-19(30)10-14-29/h3-8,11-12,15,19,30H,9-10,13-14,16H2,1-2H3,(H,26,27,31)