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

Systemtic Name: 6-[2-fluoranyl-4-(2-phenylethanoylcarbamothioylamino)phenoxy]-1,2-dihydropyrimidine-2-carboxamide Openeye Name: 6-[2-fluoro-4-[(2-phenylacetyl)carbamothioylamino]phenoxy]-1,2-dihydropyrimidine-2-carboxamide CAS Name: 6-[2-fluoro-4-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]phenoxy]-1,2-dihydropyrimidine-2-carboxamide IUPAC Name: 6-[2-fluoro-4-[(2-phenylacetyl)carbamothioylamino]phenoxy]-1,2-dihydropyrimidine-2-carboxamide Traditional Name: 6-[2-fluoro-4-[(2-phenylacetyl)thiocarbamoylamino]phenoxy]-1,2-dihydropyrimidine-2-carboxamide Formula: C20H18FN5O3S MolecularWeight: 427.452023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18FN5O3S/c21-14-11-13(24-20(30)25-16(27)10-12-4-2-1-3-5-12)6-7-15(14)29-17-8-9-23-19(26-17)18(22)28/h1-9,11,19,26H,10H2,(H2,22,28)(H2,24,25,27,30)