4-[3-fluoranyl-4-(2-phenylethanoylcarbamothioylamino)phenoxy]pyridine-2-carboxamide

Systemtic Name: 4-[3-fluoranyl-4-(2-phenylethanoylcarbamothioylamino)phenoxy]pyridine-2-carboxamide Openeye Name: 4-[3-fluoro-4-[(2-phenylacetyl)carbamothioylamino]phenoxy]pyridine-2-carboxamide CAS Name: 4-[3-fluoro-4-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]phenoxy]-2-pyridinecarboxamide IUPAC Name: 4-[3-fluoro-4-[(2-phenylacetyl)carbamothioylamino]phenoxy]pyridine-2-carboxamide Traditional Name: 4-[3-fluoro-4-[(2-phenylacetyl)thiocarbamoylamino]phenoxy]picolinamide Formula: C21H17FN4O3S MolecularWeight: 424.448083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(=S)NC2=C(C=C(C=C2)OC3=CC(=NC=C3)C(=O)N)F

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC(=S)NC2=C(C=C(C=C2)OC3=CC(=NC=C3)C(=O)N)F

InChI

InChI=1S/C21H17FN4O3S/c22-16-11-14(29-15-8-9-24-18(12-15)20(23)28)6-7-17(16)25-21(30)26-19(27)10-13-4-2-1-3-5-13/h1-9,11-12H,10H2,(H2,23,28)(H2,25,26,27,30)