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

Systemtic Name: N-[[3-chloranyl-4-(6,7-dimethoxyquinolin-4-yl)oxy-phenyl]carbamothioyl]-2-(3-methylphenyl)ethanamide Openeye Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]carbamothioyl]-2-(m-tolyl)acetamide CAS Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-2-(3-methylphenyl)acetamide IUPAC Name: N-[[3-chloro-4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-2-(3-methylphenyl)acetamide Traditional Name: N-[[3-chloro-4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]thiocarbamoyl]-2-(m-tolyl)acetamide Formula: C27H24ClN3O4S MolecularWeight: 522.01516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(=O)NC(=S)NC2=CC(=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CC(=O)NC(=S)NC2=CC(=C(C=C2)OC3=C4C=C(C(=CC4=NC=C3)OC)OC)Cl

InChI

InChI=1S/C27H24ClN3O4S/c1-16-5-4-6-17(11-16)12-26(32)31-27(36)30-18-7-8-23(20(28)13-18)35-22-9-10-29-21-15-25(34-3)24(33-2)14-19(21)22/h4-11,13-15H,12H2,1-3H3,(H2,30,31,32,36)