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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)N(C(=S)N)NC(=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)13-27-11-5-10-17(19(27)30)18(29)26-28(20(25)31)16-8-2-1-3-9-16/h1-12H,13H2,(H2,25,31)(H,26,29)