4-butoxy-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]benzamide

Systemtic Name: 4-butoxy-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[4-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]thiocarbamoyl]benzamide Formula: C29H29N3O5S MolecularWeight: 531.62266

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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

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

InChI

InChI=1S/C29H29N3O5S/c1-4-5-16-36-21-10-6-19(7-11-21)28(33)32-29(38)31-20-8-12-22(13-9-20)37-25-14-15-30-24-18-27(35-3)26(34-2)17-23(24)25/h6-15,17-18H,4-5,16H2,1-3H3,(H2,31,32,33,38)