N-[[2-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-2-pyridin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[[2-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-2-pyridin-4-ylsulfanyl-ethanamide Openeye Name: N-[[2-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]-2-(4-pyridylsulfanyl)acetamide CAS Name: N-[[2-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl]-2-(pyridin-4-ylthio)acetamide IUPAC Name: N-[[2-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-2-pyridin-4-ylsulfanylacetamide Traditional Name: N-[[2-(4-methylpiperazino)-3-pyridyl]methyl]-2-(4-pyridylthio)acetamide Formula: C18H23N5OS MolecularWeight: 357.47312

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=CC=N2)CNC(=O)CSC3=CC=NC=C3

Isomeric SMILES

CN1CCN(CC1)C2=C(C=CC=N2)CNC(=O)CSC3=CC=NC=C3

InChI

InChI=1S/C18H23N5OS/c1-22-9-11-23(12-10-22)18-15(3-2-6-20-18)13-21-17(24)14-25-16-4-7-19-8-5-16/h2-8H,9-14H2,1H3,(H,21,24)