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

Systemtic Name: N-[[3-fluoranyl-4-[7-(3-imidazol-1-ylpropoxy)-6-methoxy-quinolin-4-yl]oxy-phenyl]carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[[3-fluoro-4-[[7-(3-imidazol-1-ylpropoxy)-6-methoxy-4-quinolyl]oxy]phenyl]carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[3-fluoro-4-[[7-[3-(1-imidazolyl)propoxy]-6-methoxy-4-quinolinyl]oxy]anilino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[3-fluoro-4-[7-(3-imidazol-1-ylpropoxy)-6-methoxyquinolin-4-yl]oxyphenyl]carbamothioyl]-2-phenylacetamide Traditional Name: N-[[3-fluoro-4-[[7-(3-imidazol-1-ylpropoxy)-6-methoxy-4-quinolyl]oxy]phenyl]thiocarbamoyl]-2-phenyl-acetamide Formula: C31H28FN5O4S MolecularWeight: 585.648523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1OCCCN3C=CN=C3)OC4=C(C=C(C=C4)NC(=S)NC(=O)CC5=CC=CC=C5)F

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1OCCCN3C=CN=C3)OC4=C(C=C(C=C4)NC(=S)NC(=O)CC5=CC=CC=C5)F

InChI

InChI=1S/C31H28FN5O4S/c1-39-28-18-23-25(19-29(28)40-15-5-13-37-14-12-33-20-37)34-11-10-26(23)41-27-9-8-22(17-24(27)32)35-31(42)36-30(38)16-21-6-3-2-4-7-21/h2-4,6-12,14,17-20H,5,13,15-16H2,1H3,(H2,35,36,38,42)