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

Systemtic Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-(2-fluorophenyl)carbamothioyl]dodecanamide Openeye Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-(2-fluorophenyl)carbamothioyl]dodecanamide CAS Name: N-[[N-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-fluoroanilino]-sulfanylidenemethyl]dodecanamide IUPAC Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-(2-fluorophenyl)carbamothioyl]dodecanamide Traditional Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-(2-fluorophenyl)thiocarbamoyl]lauramide Formula: C30H38FN3O4S MolecularWeight: 555.703823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(=S)N(C1=CC=CC=C1F)OC2=C3C=C(C(=CC3=NC=C2)OC)OC

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(=S)N(C1=CC=CC=C1F)OC2=C3C=C(C(=CC3=NC=C2)OC)OC

InChI

InChI=1S/C30H38FN3O4S/c1-4-5-6-7-8-9-10-11-12-17-29(35)33-30(39)34(25-16-14-13-15-23(25)31)38-26-18-19-32-24-21-28(37-3)27(36-2)20-22(24)26/h13-16,18-21H,4-12,17H2,1-3H3,(H,33,35,39)