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

Systemtic Name: N-(3,5-dimethylphenyl)-2-[[2-(2-oxidanylethanoylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(3,5-dimethylphenyl)-2-[[2-[(2-hydroxyacetyl)amino]-4-pyridyl]methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(3,5-dimethylphenyl)-2-[[2-[(2-hydroxy-1-oxoethyl)amino]-4-pyridinyl]methylthio]-3-pyridinecarboxamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[[2-[(2-hydroxyacetyl)amino]pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(3,5-dimethylphenyl)-2-[[2-(glycoloylamino)-4-pyridyl]methylthio]nicotinamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3S/c1-14-8-15(2)10-17(9-14)25-21(29)18-4-3-6-24-22(18)30-13-16-5-7-23-19(11-16)26-20(28)12-27/h3-11,27H,12-13H2,1-2H3,(H,25,29)(H,23,26,28)