1-[[1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]carbonylamino]-1-phenyl-thiourea

Systemtic Name: 1-[[1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]carbonylamino]-1-phenyl-thiourea Openeye Name: 1-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperidine-4-carbonyl]amino]-1-phenyl-thiourea CAS Name: 1-[[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-piperidinyl]-oxomethyl]amino]-1-phenylthiourea IUPAC Name: 1-[[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carbonyl]amino]-1-phenylthiourea Traditional Name: 1-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]isonipecotoyl]amino]-1-phenyl-thiourea Formula: C19H19ClF3N5OS MolecularWeight: 457.90027

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NN(C2=CC=CC=C2)C(=S)N)C3=C(C=C(C=N3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NN(C2=CC=CC=C2)C(=S)N)C3=C(C=C(C=N3)C(F)(F)F)Cl

InChI

InChI=1S/C19H19ClF3N5OS/c20-15-10-13(19(21,22)23)11-25-16(15)27-8-6-12(7-9-27)17(29)26-28(18(24)30)14-4-2-1-3-5-14/h1-5,10-12H,6-9H2,(H2,24,30)(H,26,29)