N-(3-methylphenyl)-2-[[2-(2-oxidanylethanoylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(3-methylphenyl)-2-[[2-(2-oxidanylethanoylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Openeye Name: 2-[[2-[(2-hydroxyacetyl)amino]-4-pyridyl]methylsulfanyl]-N-(m-tolyl)pyridine-3-carboxamide CAS Name: 2-[[2-[(2-hydroxy-1-oxoethyl)amino]-4-pyridinyl]methylthio]-N-(3-methylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[[2-[(2-hydroxyacetyl)amino]pyridin-4-yl]methylsulfanyl]-N-(3-methylphenyl)pyridine-3-carboxamide Traditional Name: 2-[[2-(glycoloylamino)-4-pyridyl]methylthio]-N-(m-tolyl)nicotinamide Formula: C21H20N4O3S MolecularWeight: 408.4735

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)NC(=O)CO

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)NC(=O)CO

InChI

InChI=1S/C21H20N4O3S/c1-14-4-2-5-16(10-14)24-20(28)17-6-3-8-23-21(17)29-13-15-7-9-22-18(11-15)25-19(27)12-26/h2-11,26H,12-13H2,1H3,(H,24,28)(H,22,25,27)