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

Systemtic Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluoranyl-phenyl]-methyl-carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]-3-fluoro-phenyl]-methyl-carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinolinyl)oxy]-3-fluoro-N-methylanilino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-methylcarbamothioyl]-2-phenylacetamide Traditional Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]-3-fluoro-phenyl]-methyl-thiocarbamoyl]-2-phenyl-acetamide Formula: C27H24FN3O4S MolecularWeight: 505.560563

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC(=C(C=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)OC)F)C(=S)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

CN(C1=CC(=C(C=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)OC)F)C(=S)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C27H24FN3O4S/c1-31(27(36)30-26(32)13-17-7-5-4-6-8-17)18-9-10-23(20(28)14-18)35-22-11-12-29-21-16-25(34-3)24(33-2)15-19(21)22/h4-12,14-16H,13H2,1-3H3,(H,30,32,36)