N-[6-[2-fluoranyl-4-(2-phenylethanoylcarbamothioylamino)phenoxy]pyrimidin-4-yl]pyrrolidine-1-carboxamide

Systemtic Name: N-[6-[2-fluoranyl-4-(2-phenylethanoylcarbamothioylamino)phenoxy]pyrimidin-4-yl]pyrrolidine-1-carboxamide Openeye Name: N-[6-[2-fluoro-4-[(2-phenylacetyl)carbamothioylamino]phenoxy]pyrimidin-4-yl]pyrrolidine-1-carboxamide CAS Name: N-[6-[2-fluoro-4-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]phenoxy]-4-pyrimidinyl]-1-pyrrolidinecarboxamide IUPAC Name: N-[6-[2-fluoro-4-[(2-phenylacetyl)carbamothioylamino]phenoxy]pyrimidin-4-yl]pyrrolidine-1-carboxamide Traditional Name: N-[6-[2-fluoro-4-[(2-phenylacetyl)thiocarbamoylamino]phenoxy]pyrimidin-4-yl]pyrrolidine-1-carboxamide Formula: C24H23FN6O3S MolecularWeight: 494.541223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)NC2=CC(=NC=N2)OC3=C(C=C(C=C3)NC(=S)NC(=O)CC4=CC=CC=C4)F

Isomeric SMILES

C1CCN(C1)C(=O)NC2=CC(=NC=N2)OC3=C(C=C(C=C3)NC(=S)NC(=O)CC4=CC=CC=C4)F

InChI

InChI=1S/C24H23FN6O3S/c25-18-13-17(28-23(35)30-21(32)12-16-6-2-1-3-7-16)8-9-19(18)34-22-14-20(26-15-27-22)29-24(33)31-10-4-5-11-31/h1-3,6-9,13-15H,4-5,10-12H2,(H,26,27,29,33)(H2,28,30,32,35)