N-[(6,7-dimethoxyquinolin-4-yl)oxy-(2-fluorophenyl)carbamothioyl]-4-propyl-benzamide

Systemtic Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-(2-fluorophenyl)carbamothioyl]-4-propyl-benzamide Openeye Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-(2-fluorophenyl)carbamothioyl]-4-propyl-benzamide CAS Name: N-[[N-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-fluoroanilino]-sulfanylidenemethyl]-4-propylbenzamide IUPAC Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-(2-fluorophenyl)carbamothioyl]-4-propylbenzamide Traditional Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-(2-fluorophenyl)thiocarbamoyl]-4-propyl-benzamide Formula: C28H26FN3O4S MolecularWeight: 519.587143

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)NC(=S)N(C2=CC=CC=C2F)OC3=C4C=C(C(=CC4=NC=C3)OC)OC

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)NC(=S)N(C2=CC=CC=C2F)OC3=C4C=C(C(=CC4=NC=C3)OC)OC

InChI

InChI=1S/C28H26FN3O4S/c1-4-7-18-10-12-19(13-11-18)27(33)31-28(37)32(23-9-6-5-8-21(23)29)36-24-14-15-30-22-17-26(35-3)25(34-2)16-20(22)24/h5-6,8-17H,4,7H2,1-3H3,(H,31,33,37)