N-[(6,7-dimethoxyquinolin-4-yl)oxy-(3-fluorophenyl)carbamothioyl]-2-phenyl-ethanamide

Systemtic Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-(3-fluorophenyl)carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-(3-fluorophenyl)carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[N-[(6,7-dimethoxy-4-quinolinyl)oxy]-3-fluoroanilino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-(3-fluorophenyl)carbamothioyl]-2-phenylacetamide Traditional Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-(3-fluorophenyl)thiocarbamoyl]-2-phenyl-acetamide Formula: C26H22FN3O4S MolecularWeight: 491.533983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1OC)ON(C3=CC(=CC=C3)F)C(=S)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1OC)ON(C3=CC(=CC=C3)F)C(=S)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C26H22FN3O4S/c1-32-23-15-20-21(16-24(23)33-2)28-12-11-22(20)34-30(19-10-6-9-18(27)14-19)26(35)29-25(31)13-17-7-4-3-5-8-17/h3-12,14-16H,13H2,1-2H3,(H,29,31,35)