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

Systemtic Name: N-(4-chlorophenyl)-2-[[2-(propylcarbamoylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(4-chlorophenyl)-2-[[2-(propylcarbamoylamino)-4-pyridyl]methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(4-chlorophenyl)-2-[[2-[[oxo(propylamino)methyl]amino]-4-pyridinyl]methylthio]-3-pyridinecarboxamide IUPAC Name: N-(4-chlorophenyl)-2-[[2-(propylcarbamoylamino)pyridin-4-yl]methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(4-chlorophenyl)-2-[[2-(propylcarbamoylamino)-4-pyridyl]methylthio]nicotinamide Formula: C22H22ClN5O2S MolecularWeight: 455.96038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN5O2S/c1-2-10-26-22(30)28-19-13-15(9-12-24-19)14-31-21-18(4-3-11-25-21)20(29)27-17-7-5-16(23)6-8-17/h3-9,11-13H,2,10,14H2,1H3,(H,27,29)(H2,24,26,28,30)