N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluoranyl-phenyl]carbamothioyl]-4-ethyl-benzamide

Systemtic Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluoranyl-phenyl]carbamothioyl]-4-ethyl-benzamide Openeye Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]-2-fluoro-phenyl]carbamothioyl]-4-ethyl-benzamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-fluoroanilino]-sulfanylidenemethyl]-4-ethylbenzamide IUPAC Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamothioyl]-4-ethylbenzamide Traditional Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]-2-fluoro-phenyl]thiocarbamoyl]-4-ethyl-benzamide Formula: C27H24FN3O4S MolecularWeight: 505.560563

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)F

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)F

InChI

InChI=1S/C27H24FN3O4S/c1-4-16-5-7-17(8-6-16)26(32)31-27(36)30-21-10-9-18(13-20(21)28)35-23-11-12-29-22-15-25(34-3)24(33-2)14-19(22)23/h5-15H,4H2,1-3H3,(H2,30,31,32,36)