1-[3-(1-methylpiperidin-4-yl)carbonylphenyl]-3-[2,3,4,5,6-pentakis(fluoranyl)phenyl]sulfanyl-urea

Systemtic Name: 1-[3-(1-methylpiperidin-4-yl)carbonylphenyl]-3-[2,3,4,5,6-pentakis(fluoranyl)phenyl]sulfanyl-urea Openeye Name: 1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(2,3,4,5,6-pentafluorophenyl)sulfanyl-urea CAS Name: 1-[3-[(1-methyl-4-piperidinyl)-oxomethyl]phenyl]-3-[(2,3,4,5,6-pentafluorophenyl)thio]urea IUPAC Name: 1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-(2,3,4,5,6-pentafluorophenyl)sulfanylurea Traditional Name: 1-[3-(1-methylisonipecotoyl)phenyl]-3-[(2,3,4,5,6-pentafluorophenyl)thio]urea Formula: C20H18F5N3O2S MolecularWeight: 459.432836

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C(=O)C2=CC(=CC=C2)NC(=O)NSC3=C(C(=C(C(=C3F)F)F)F)F

Isomeric SMILES

CN1CCC(CC1)C(=O)C2=CC(=CC=C2)NC(=O)NSC3=C(C(=C(C(=C3F)F)F)F)F

InChI

InChI=1S/C20H18F5N3O2S/c1-28-7-5-10(6-8-28)18(29)11-3-2-4-12(9-11)26-20(30)27-31-19-16(24)14(22)13(21)15(23)17(19)25/h2-4,9-10H,5-8H2,1H3,(H2,26,27,30)