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

Systemtic Name: 2-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-(3,5-dimethyl-4-oxidanyl-phenyl)pyridine-3-carboxamide Openeye Name: 2-[(2-acetamido-4-pyridyl)methylsulfanyl]-N-(4-hydroxy-3,5-dimethyl-phenyl)pyridine-3-carboxamide CAS Name: 2-[(2-acetamido-4-pyridinyl)methylthio]-N-(4-hydroxy-3,5-dimethylphenyl)-3-pyridinecarboxamide IUPAC Name: 2-[(2-acetamidopyridin-4-yl)methylsulfanyl]-N-(4-hydroxy-3,5-dimethylphenyl)pyridine-3-carboxamide Traditional Name: 2-[(2-acetamido-4-pyridyl)methylthio]-N-(4-hydroxy-3,5-dimethyl-phenyl)nicotinamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3S/c1-13-9-17(10-14(2)20(13)28)26-21(29)18-5-4-7-24-22(18)30-12-16-6-8-23-19(11-16)25-15(3)27/h4-11,28H,12H2,1-3H3,(H,26,29)(H,23,25,27)