6-[2-fluoranyl-4-[2-(4-fluorophenyl)ethanoylcarbamothioylamino]phenoxy]-1,2-dihydropyrimidine-2-carboxamide

Systemtic Name: 6-[2-fluoranyl-4-[2-(4-fluorophenyl)ethanoylcarbamothioylamino]phenoxy]-1,2-dihydropyrimidine-2-carboxamide Openeye Name: 6-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamothioylamino]phenoxy]-1,2-dihydropyrimidine-2-carboxamide CAS Name: 6-[2-fluoro-4-[[[[2-(4-fluorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenoxy]-1,2-dihydropyrimidine-2-carboxamide IUPAC Name: 6-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]carbamothioylamino]phenoxy]-1,2-dihydropyrimidine-2-carboxamide Traditional Name: 6-[2-fluoro-4-[[2-(4-fluorophenyl)acetyl]thiocarbamoylamino]phenoxy]-1,2-dihydropyrimidine-2-carboxamide Formula: C20H17F2N5O3S MolecularWeight: 445.442486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)NC(=S)NC2=CC(=C(C=C2)OC3=CC=NC(N3)C(=O)N)F)F

Isomeric SMILES

C1=CC(=CC=C1CC(=O)NC(=S)NC2=CC(=C(C=C2)OC3=CC=NC(N3)C(=O)N)F)F

InChI

InChI=1S/C20H17F2N5O3S/c21-12-3-1-11(2-4-12)9-16(28)26-20(31)25-13-5-6-15(14(22)10-13)30-17-7-8-24-19(27-17)18(23)29/h1-8,10,19,27H,9H2,(H2,23,29)(H2,25,26,28,31)