N-(3,5-dimethyl-4-oxidanyl-phenyl)-2-[[2-(2-oxidanylethanoylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(3,5-dimethyl-4-oxidanyl-phenyl)-2-[[2-(2-oxidanylethanoylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Openeye Name: 2-[[2-[(2-hydroxyacetyl)amino]-4-pyridyl]methylsulfanyl]-N-(4-hydroxy-3,5-dimethyl-phenyl)pyridine-3-carboxamide CAS Name: N-(4-hydroxy-3,5-dimethylphenyl)-2-[[2-[(2-hydroxy-1-oxoethyl)amino]-4-pyridinyl]methylthio]-3-pyridinecarboxamide IUPAC Name: 2-[[2-[(2-hydroxyacetyl)amino]pyridin-4-yl]methylsulfanyl]-N-(4-hydroxy-3,5-dimethylphenyl)pyridine-3-carboxamide Traditional Name: 2-[[2-(glycoloylamino)-4-pyridyl]methylthio]-N-(4-hydroxy-3,5-dimethyl-phenyl)nicotinamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)NC(=O)CO

Isomeric SMILES

CC1=CC(=CC(=C1O)C)NC(=O)C2=C(N=CC=C2)SCC3=CC(=NC=C3)NC(=O)CO

InChI

InChI=1S/C22H22N4O4S/c1-13-8-16(9-14(2)20(13)29)25-21(30)17-4-3-6-24-22(17)31-12-15-5-7-23-18(10-15)26-19(28)11-27/h3-10,27,29H,11-12H2,1-2H3,(H,25,30)(H,23,26,28)