N-[[3-fluoranyl-4-[6-methoxy-7-(2-oxidanyl-3-pyrrolidin-1-yl-propoxy)quinolin-4-yl]oxy-phenyl]carbamothioyl]-2-phenyl-ethanamide

Systemtic Name: N-[[3-fluoranyl-4-[6-methoxy-7-(2-oxidanyl-3-pyrrolidin-1-yl-propoxy)quinolin-4-yl]oxy-phenyl]carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[[3-fluoro-4-[[7-(2-hydroxy-3-pyrrolidin-1-yl-propoxy)-6-methoxy-4-quinolyl]oxy]phenyl]carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[3-fluoro-4-[[7-[2-hydroxy-3-(1-pyrrolidinyl)propoxy]-6-methoxy-4-quinolinyl]oxy]anilino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[3-fluoro-4-[7-(2-hydroxy-3-pyrrolidin-1-ylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]carbamothioyl]-2-phenylacetamide Traditional Name: N-[[3-fluoro-4-[[7-(2-hydroxy-3-pyrrolidino-propoxy)-6-methoxy-4-quinolyl]oxy]phenyl]thiocarbamoyl]-2-phenyl-acetamide Formula: C32H33FN4O5S MolecularWeight: 604.691623

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1OCC(CN3CCCC3)O)OC4=C(C=C(C=C4)NC(=S)NC(=O)CC5=CC=CC=C5)F

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1OCC(CN3CCCC3)O)OC4=C(C=C(C=C4)NC(=S)NC(=O)CC5=CC=CC=C5)F

InChI

InChI=1S/C32H33FN4O5S/c1-40-29-17-24-26(18-30(29)41-20-23(38)19-37-13-5-6-14-37)34-12-11-27(24)42-28-10-9-22(16-25(28)33)35-32(43)36-31(39)15-21-7-3-2-4-8-21/h2-4,7-12,16-18,23,38H,5-6,13-15,19-20H2,1H3,(H2,35,36,39,43)