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

Systemtic Name: 1-methyl-3-[[2-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]methyl]pyridin-3-yl]carbonylamino]thiourea Openeye Name: 1-methyl-3-[[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]thiourea CAS Name: 1-methyl-3-[[oxo-[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-3-pyridinyl]methyl]amino]thiourea IUPAC Name: 1-methyl-3-[[2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carbonyl]amino]thiourea Traditional Name: 1-[[2-keto-1-[3-(trifluoromethyl)benzyl]nicotinoyl]amino]-3-methyl-thiourea Formula: C16H15F3N4O2S MolecularWeight: 384.37611

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NNC(=O)C1=CC=CN(C1=O)CC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

CNC(=S)NNC(=O)C1=CC=CN(C1=O)CC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C16H15F3N4O2S/c1-20-15(26)22-21-13(24)12-6-3-7-23(14(12)25)9-10-4-2-5-11(8-10)16(17,18)19/h2-8H,9H2,1H3,(H,21,24)(H2,20,22,26)