N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-methylsulfanyl-propanamide

Systemtic Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-methylsulfanyl-propanamide Openeye Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]carbamothioyl]-3-methylsulfanyl-propanamide CAS Name: N-[[4-[(6,7-dimethoxy-4-quinolinyl)oxy]anilino]-sulfanylidenemethyl]-3-(methylthio)propanamide IUPAC Name: N-[[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamothioyl]-3-methylsulfanylpropanamide Traditional Name: N-[[4-[(6,7-dimethoxy-4-quinolyl)oxy]phenyl]thiocarbamoyl]-3-(methylthio)propionamide Formula: C22H23N3O4S2 MolecularWeight: 457.56572

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=S)NC(=O)CCSC

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1OC)OC3=CC=C(C=C3)NC(=S)NC(=O)CCSC

InChI

InChI=1S/C22H23N3O4S2/c1-27-19-12-16-17(13-20(19)28-2)23-10-8-18(16)29-15-6-4-14(5-7-15)24-22(30)25-21(26)9-11-31-3/h4-8,10,12-13H,9,11H2,1-3H3,(H2,24,25,26,30)