N-[4-[2-fluoranyl-4-(2-phenylethanoylcarbamothioylamino)phenoxy]pyridin-2-yl]-4-morpholin-4-yl-piperidine-1-carboxamide

Systemtic Name: N-[4-[2-fluoranyl-4-(2-phenylethanoylcarbamothioylamino)phenoxy]pyridin-2-yl]-4-morpholin-4-yl-piperidine-1-carboxamide Openeye Name: N-[4-[2-fluoro-4-[(2-phenylacetyl)carbamothioylamino]phenoxy]-2-pyridyl]-4-morpholino-piperidine-1-carboxamide CAS Name: N-[4-[2-fluoro-4-[[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]amino]phenoxy]-2-pyridinyl]-4-(4-morpholinyl)-1-piperidinecarboxamide IUPAC Name: N-[4-[2-fluoro-4-[(2-phenylacetyl)carbamothioylamino]phenoxy]pyridin-2-yl]-4-morpholin-4-ylpiperidine-1-carboxamide Traditional Name: N-[4-[2-fluoro-4-[(2-phenylacetyl)thiocarbamoylamino]phenoxy]-2-pyridyl]-4-morpholino-piperidine-1-carboxamide Formula: C30H33FN6O4S MolecularWeight: 592.684223

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2CCOCC2)C(=O)NC3=NC=CC(=C3)OC4=C(C=C(C=C4)NC(=S)NC(=O)CC5=CC=CC=C5)F

Isomeric SMILES

C1CN(CCC1N2CCOCC2)C(=O)NC3=NC=CC(=C3)OC4=C(C=C(C=C4)NC(=S)NC(=O)CC5=CC=CC=C5)F

InChI

InChI=1S/C30H33FN6O4S/c31-25-19-22(33-29(42)35-28(38)18-21-4-2-1-3-5-21)6-7-26(25)41-24-8-11-32-27(20-24)34-30(39)37-12-9-23(10-13-37)36-14-16-40-17-15-36/h1-8,11,19-20,23H,9-10,12-18H2,(H,32,34,39)(H2,33,35,38,42)