3-(4-fluorophenyl)-N-[[2-(4-methylpiperazin-1-yl)pyridin-4-yl]methyl]-2-methylsulfanyl-imidazole-4-carboxamide

Systemtic Name: 3-(4-fluorophenyl)-N-[[2-(4-methylpiperazin-1-yl)pyridin-4-yl]methyl]-2-methylsulfanyl-imidazole-4-carboxamide Openeye Name: 3-(4-fluorophenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridyl]methyl]-2-methylsulfanyl-imidazole-4-carboxamide CAS Name: 3-(4-fluorophenyl)-N-[[2-(4-methyl-1-piperazinyl)-4-pyridinyl]methyl]-2-(methylthio)-4-imidazolecarboxamide IUPAC Name: 3-(4-fluorophenyl)-N-[[2-(4-methylpiperazin-1-yl)pyridin-4-yl]methyl]-2-methylsulfanylimidazole-4-carboxamide Traditional Name: 3-(4-fluorophenyl)-N-[[2-(4-methylpiperazino)-4-pyridyl]methyl]-2-(methylthio)imidazole-4-carboxamide Formula: C22H25FN6OS MolecularWeight: 440.536903

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=CC(=C2)CNC(=O)C3=CN=C(N3C4=CC=C(C=C4)F)SC

Isomeric SMILES

CN1CCN(CC1)C2=NC=CC(=C2)CNC(=O)C3=CN=C(N3C4=CC=C(C=C4)F)SC

InChI

InChI=1S/C22H25FN6OS/c1-27-9-11-28(12-10-27)20-13-16(7-8-24-20)14-25-21(30)19-15-26-22(31-2)29(19)18-5-3-17(23)4-6-18/h3-8,13,15H,9-12,14H2,1-2H3,(H,25,30)