N-[(6,7-dimethoxyquinolin-4-yl)oxy-phenyl-carbamothioyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-phenyl-carbamothioyl]-3,4-dimethoxy-benzamide Openeye Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-phenyl-carbamothioyl]-3,4-dimethoxy-benzamide CAS Name: N-[[N-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-phenylcarbamothioyl]-3,4-dimethoxybenzamide Traditional Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-phenyl-thiocarbamoyl]-3,4-dimethoxy-benzamide Formula: C27H25N3O6S MolecularWeight: 519.5689

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)N(C2=CC=CC=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)N(C2=CC=CC=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)OC

InChI

InChI=1S/C27H25N3O6S/c1-32-22-11-10-17(14-23(22)33-2)26(31)29-27(37)30(18-8-6-5-7-9-18)36-21-12-13-28-20-16-25(35-4)24(34-3)15-19(20)21/h5-16H,1-4H3,(H,29,31,37)