1-[3-(1-methylpiperidin-4-yl)carbonylphenyl]-3-[4-(trifluoromethyloxy)phenyl]sulfanyl-urea

Systemtic Name: 1-[3-(1-methylpiperidin-4-yl)carbonylphenyl]-3-[4-(trifluoromethyloxy)phenyl]sulfanyl-urea Openeye Name: 1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]sulfanyl-urea CAS Name: 1-[3-[(1-methyl-4-piperidinyl)-oxomethyl]phenyl]-3-[[4-(trifluoromethoxy)phenyl]thio]urea IUPAC Name: 1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-[4-(trifluoromethoxy)phenyl]sulfanylurea Traditional Name: 1-[3-(1-methylisonipecotoyl)phenyl]-3-[[4-(trifluoromethoxy)phenyl]thio]urea Formula: C21H22F3N3O3S MolecularWeight: 453.47789

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C(=O)C2=CC(=CC=C2)NC(=O)NSC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CN1CCC(CC1)C(=O)C2=CC(=CC=C2)NC(=O)NSC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C21H22F3N3O3S/c1-27-11-9-14(10-12-27)19(28)15-3-2-4-16(13-15)25-20(29)26-31-18-7-5-17(6-8-18)30-21(22,23)24/h2-8,13-14H,9-12H2,1H3,(H2,25,26,29)