1-[3-(1-ethylpiperidin-4-yl)carbonylphenyl]-1-[2,4,5-tris(fluoranyl)phenyl]thiourea; propanedioic acid

Systemtic Name: 1-[3-(1-ethylpiperidin-4-yl)carbonylphenyl]-1-[2,4,5-tris(fluoranyl)phenyl]thiourea; propanedioic acid Openeye Name: 1-[3-(1-ethylpiperidine-4-carbonyl)phenyl]-1-(2,4,5-trifluorophenyl)thiourea; malonic acid CAS Name: 1-[3-[(1-ethyl-4-piperidinyl)-oxomethyl]phenyl]-1-(2,4,5-trifluorophenyl)thiourea; propanedioic acid IUPAC Name: 1-[3-(1-ethylpiperidine-4-carbonyl)phenyl]-1-(2,4,5-trifluorophenyl)thiourea; propanedioic acid Traditional Name: 1-[3-(1-ethylisonipecotoyl)phenyl]-1-(2,4,5-trifluorophenyl)thiourea; malonic acid Formula: C24H26F3N3O5S MolecularWeight: 525.54055

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)C(=O)C2=CC(=CC=C2)N(C3=CC(=C(C=C3F)F)F)C(=S)N.C(C(=O)O)C(=O)O

Isomeric SMILES

CCN1CCC(CC1)C(=O)C2=CC(=CC=C2)N(C3=CC(=C(C=C3F)F)F)C(=S)N.C(C(=O)O)C(=O)O

InChI

InChI=1S/C21H22F3N3OS.C3H4O4/c1-2-26-8-6-13(7-9-26)20(28)14-4-3-5-15(10-14)27(21(25)29)19-12-17(23)16(22)11-18(19)24;4-2(5)1-3(6)7/h3-5,10-13H,2,6-9H2,1H3,(H2,25,29);1H2,(H,4,5)(H,6,7)