N-[[3-chloranyl-4-(6,7-dimethoxyquinolin-4-yl)oxy-phenyl]carbamothioyl]-3-(2-methylphenyl)propanamide

Systemtic Name: N-[[3-chloranyl-4-(6,7-dimethoxyquinolin-4-yl)oxy-phenyl]carbamothioyl]-3-(2-methylphenyl)propanamide Openeye Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]carbamothioyl]-3-(o-tolyl)propanamide CAS Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-3-(2-methylphenyl)propanamide IUPAC Name: N-[[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-(2-methylphenyl)propanamide Traditional Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]thiocarbamoyl]-3-(o-tolyl)propionamide Formula: C28H26ClN3O4S MolecularWeight: 536.04174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCC(=O)NC(=S)NC2=CC(=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl

Isomeric SMILES

CC1=CC=CC=C1CCC(=O)NC(=S)NC2=CC(=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl

InChI

InChI=1S/C28H26ClN3O4S/c1-17-6-4-5-7-18(17)8-11-27(33)32-28(37)31-19-9-10-24(21(29)14-19)36-23-12-13-30-22-16-26(35-3)25(34-2)15-20(22)23/h4-7,9-10,12-16H,8,11H2,1-3H3,(H2,31,32,33,37)