2-[[2-(2-acetamidoethanoylamino)pyridin-4-yl]methylsulfanyl]-N-(4-chlorophenyl)pyridine-3-carboxamide

Systemtic Name: 2-[[2-(2-acetamidoethanoylamino)pyridin-4-yl]methylsulfanyl]-N-(4-chlorophenyl)pyridine-3-carboxamide Openeye Name: 2-[[2-[(2-acetamidoacetyl)amino]-4-pyridyl]methylsulfanyl]-N-(4-chlorophenyl)pyridine-3-carboxamide CAS Name: 2-[[2-[(2-acetamido-1-oxoethyl)amino]-4-pyridinyl]methylthio]-N-(4-chlorophenyl)-3-pyridinecarboxamide IUPAC Name: 2-[[2-[(2-acetamidoacetyl)amino]pyridin-4-yl]methylsulfanyl]-N-(4-chlorophenyl)pyridine-3-carboxamide Traditional Name: 2-[[2-[(2-acetamidoacetyl)amino]-4-pyridyl]methylthio]-N-(4-chlorophenyl)nicotinamide Formula: C22H20ClN5O3S MolecularWeight: 469.9439

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC(=O)NC1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)NCC(=O)NC1=NC=CC(=C1)CSC2=C(C=CC=N2)C(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H20ClN5O3S/c1-14(29)26-12-20(30)28-19-11-15(8-10-24-19)13-32-22-18(3-2-9-25-22)21(31)27-17-6-4-16(23)5-7-17/h2-11H,12-13H2,1H3,(H,26,29)(H,27,31)(H,24,28,30)