1-[3-(1-methylpiperidin-4-yl)carbonylphenyl]-1-[2,3,5-tris(fluoranyl)phenyl]thiourea

Systemtic Name: 1-[3-(1-methylpiperidin-4-yl)carbonylphenyl]-1-[2,3,5-tris(fluoranyl)phenyl]thiourea Openeye Name: 1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-1-(2,3,5-trifluorophenyl)thiourea CAS Name: 1-[3-[(1-methyl-4-piperidinyl)-oxomethyl]phenyl]-1-(2,3,5-trifluorophenyl)thiourea IUPAC Name: 1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-1-(2,3,5-trifluorophenyl)thiourea Traditional Name: 1-[3-(1-methylisonipecotoyl)phenyl]-1-(2,3,5-trifluorophenyl)thiourea Formula: C20H20F3N3OS MolecularWeight: 407.45251

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C(=O)C2=CC(=CC=C2)N(C3=CC(=CC(=C3F)F)F)C(=S)N

Isomeric SMILES

CN1CCC(CC1)C(=O)C2=CC(=CC=C2)N(C3=CC(=CC(=C3F)F)F)C(=S)N

InChI

InChI=1S/C20H20F3N3OS/c1-25-7-5-12(6-8-25)19(27)13-3-2-4-15(9-13)26(20(24)28)17-11-14(21)10-16(22)18(17)23/h2-4,9-12H,5-8H2,1H3,(H2,24,28)