1-[3-(1-methylpiperidin-4-yl)carbonylphenyl]-3-[2-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-[3-(1-methylpiperidin-4-yl)carbonylphenyl]-3-[2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-[2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[3-[(1-methyl-4-piperidinyl)-oxomethyl]phenyl]-3-[2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-[3-(1-methylpiperidine-4-carbonyl)phenyl]-3-[2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-[3-(1-methylisonipecotoyl)phenyl]-3-[2-(trifluoromethyl)phenyl]thiourea Formula: C21H22F3N3OS MolecularWeight: 421.47909

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)C(=O)C2=CC(=CC=C2)NC(=S)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CN1CCC(CC1)C(=O)C2=CC(=CC=C2)NC(=S)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H22F3N3OS/c1-27-11-9-14(10-12-27)19(28)15-5-4-6-16(13-15)25-20(29)26-18-8-3-2-7-17(18)21(22,23)24/h2-8,13-14H,9-12H2,1H3,(H2,25,26,29)