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

Systemtic Name: 1-[[1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperidin-4-yl]carbonylamino]-3-propan-2-yl-thiourea Openeye Name: 1-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperidine-4-carbonyl]amino]-3-isopropyl-thiourea CAS Name: 1-[[[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-piperidinyl]-oxomethyl]amino]-3-propan-2-ylthiourea IUPAC Name: 1-[[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carbonyl]amino]-3-propan-2-ylthiourea Traditional Name: 1-[[1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]isonipecotoyl]amino]-3-isopropyl-thiourea Formula: C16H21ClF3N5OS MolecularWeight: 423.88405

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=S)NNC(=O)C1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl

Isomeric SMILES

CC(C)NC(=S)NNC(=O)C1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl

InChI

InChI=1S/C16H21ClF3N5OS/c1-9(2)22-15(27)24-23-14(26)10-3-5-25(6-4-10)13-12(17)7-11(8-21-13)16(18,19)20/h7-10H,3-6H2,1-2H3,(H,23,26)(H2,22,24,27)