N-(2,2-dimethoxyethyl)-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(2,2-dimethoxyethyl)-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-pyridine-3-carboxamide Openeye Name: N-(2,2-dimethoxyethyl)-2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-pyridine-3-carboxamide CAS Name: N-(2,2-dimethoxyethyl)-2-[[2-oxo-2-(phenethylamino)ethyl]thio]-3-pyridinecarboxamide IUPAC Name: N-(2,2-dimethoxyethyl)-2-[2-oxo-2-(phenethylamino)ethyl]sulfanylpyridine-3-carboxamide Traditional Name: N-(2,2-dimethoxyethyl)-2-[[2-keto-2-(phenethylamino)ethyl]thio]nicotinamide Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

COC(CNC(=O)C1=C(N=CC=C1)SCC(=O)NCCC2=CC=CC=C2)OC

Isomeric SMILES

COC(CNC(=O)C1=C(N=CC=C1)SCC(=O)NCCC2=CC=CC=C2)OC

InChI

InChI=1S/C20H25N3O4S/c1-26-18(27-2)13-23-19(25)16-9-6-11-22-20(16)28-14-17(24)21-12-10-15-7-4-3-5-8-15/h3-9,11,18H,10,12-14H2,1-2H3,(H,21,24)(H,23,25)