N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-ethoxy-propanamide

Systemtic Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-ethoxy-propanamide Openeye Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]carbamothioyl]-3-ethoxy-propanamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-3-ethoxypropanamide IUPAC Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-ethoxypropanamide Traditional Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]thiocarbamoyl]-3-ethoxy-propionamide Formula: C23H25N3O5S MolecularWeight: 455.5267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O5S/c1-4-30-12-10-22(27)26-23(32)25-15-5-7-16(8-6-15)31-19-9-11-24-18-14-21(29-3)20(28-2)13-17(18)19/h5-9,11,13-14H,4,10,12H2,1-3H3,(H2,25,26,27,32)