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

Systemtic Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-phenyl-carbamothioyl]-2-phenyl-butanamide Openeye Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-phenyl-carbamothioyl]-2-phenyl-butanamide CAS Name: N-[[N-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-2-phenylbutanamide IUPAC Name: N-[(6,7-dimethoxyquinolin-4-yl)oxy-phenylcarbamothioyl]-2-phenylbutanamide Traditional Name: N-[(6,7-dimethoxy-4-quinolyl)oxy-phenyl-thiocarbamoyl]-2-phenyl-butyramide Formula: C28H27N3O4S MolecularWeight: 501.59668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O4S/c1-4-21(19-11-7-5-8-12-19)27(32)30-28(36)31(20-13-9-6-10-14-20)35-24-15-16-29-23-18-26(34-3)25(33-2)17-22(23)24/h5-18,21H,4H2,1-3H3,(H,30,32,36)