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

Systemtic Name: 4-butoxy-N-[[3-chloranyl-4-(6,7-dimethoxyquinolin-4-yl)oxy-phenyl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]thiocarbamoyl]benzamide Formula: C29H28ClN3O5S MolecularWeight: 566.06772

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl

InChI

InChI=1S/C29H28ClN3O5S/c1-4-5-14-37-20-9-6-18(7-10-20)28(34)33-29(39)32-19-8-11-25(22(30)15-19)38-24-12-13-31-23-17-27(36-3)26(35-2)16-21(23)24/h6-13,15-17H,4-5,14H2,1-3H3,(H2,32,33,34,39)