2-[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

Systemtic Name: 2-[2-[(2,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide Openeye Name: 2-[2-(2,4-dimethoxyanilino)-2-oxo-ethyl]sulfanyl-N-(3-pyridylmethyl)pyridine-3-carboxamide CAS Name: 2-[[2-(2,4-dimethoxyanilino)-2-oxoethyl]thio]-N-(3-pyridinylmethyl)-3-pyridinecarboxamide IUPAC Name: 2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide Traditional Name: 2-[[2-(2,4-dimethoxyanilino)-2-keto-ethyl]thio]-N-(3-pyridylmethyl)nicotinamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)NCC3=CN=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)NCC3=CN=CC=C3)OC

InChI

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