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

Systemtic Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methyl-phenyl]carbamothioyl]-3-methylsulfanyl-propanamide Openeye Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]-2-methyl-phenyl]carbamothioyl]-3-methylsulfanyl-propanamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinolinyl)oxy]-2-methylanilino]-sulfanylidenemethyl]-3-(methylthio)propanamide IUPAC Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxy-2-methylphenyl]carbamothioyl]-3-methylsulfanylpropanamide Traditional Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]-2-methyl-phenyl]thiocarbamoyl]-3-(methylthio)propionamide Formula: C23H25N3O4S2 MolecularWeight: 471.5923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)OC)NC(=S)NC(=O)CCSC

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C3C=C(C(=CC3=NC=C2)OC)OC)NC(=S)NC(=O)CCSC

InChI

InChI=1S/C23H25N3O4S2/c1-14-11-15(5-6-17(14)25-23(31)26-22(27)8-10-32-4)30-19-7-9-24-18-13-21(29-3)20(28-2)12-16(18)19/h5-7,9,11-13H,8,10H2,1-4H3,(H2,25,26,27,31)