1-[[2-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-yl]carbonylamino]-3-phenyl-thiourea

Systemtic Name: 1-[[2-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-yl]carbonylamino]-3-phenyl-thiourea Openeye Name: 1-[[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]-3-phenyl-thiourea CAS Name: 1-[[oxo-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]methyl]amino]-3-phenylthiourea IUPAC Name: 1-[[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]-3-phenylthiourea Traditional Name: 1-[[2-keto-1-[3-(trifluoromethyl)benzyl]nicotinoyl]amino]-3-phenyl-thiourea Formula: C21H17F3N4O2S MolecularWeight: 446.44549

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=CN(C2=O)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NNC(=O)C2=CC=CN(C2=O)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H17F3N4O2S/c22-21(23,24)15-7-4-6-14(12-15)13-28-11-5-10-17(19(28)30)18(29)26-27-20(31)25-16-8-2-1-3-9-16/h1-12H,13H2,(H,26,29)(H2,25,27,31)