N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-2-phenoxy-propanamide

Systemtic Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-2-phenoxy-propanamide Openeye Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]carbamothioyl]-2-phenoxy-propanamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-2-phenoxypropanamide IUPAC Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-2-phenoxypropanamide Traditional Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]thiocarbamoyl]-2-phenoxy-propionamide Formula: C27H25N3O5S MolecularWeight: 503.5695

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=S)NC1=CC=C(C=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)OC)OC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC(=S)NC1=CC=C(C=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)OC)OC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O5S/c1-17(34-19-7-5-4-6-8-19)26(31)30-27(36)29-18-9-11-20(12-10-18)35-23-13-14-28-22-16-25(33-3)24(32-2)15-21(22)23/h4-17H,1-3H3,(H2,29,30,31,36)