6-methoxy-4-[(2-methylsulfanylphenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinoline-3-carboxamide

Systemtic Name: 6-methoxy-4-[(2-methylsulfanylphenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinoline-3-carboxamide Openeye Name: 6-methoxy-4-(2-methylsulfanylanilino)-7-(3-morpholinopropoxy)quinoline-3-carboxamide CAS Name: 6-methoxy-4-[2-(methylthio)anilino]-7-[3-(4-morpholinyl)propoxy]-3-quinolinecarboxamide IUPAC Name: 6-methoxy-4-(2-methylsulfanylanilino)-7-(3-morpholin-4-ylpropoxy)quinoline-3-carboxamide Traditional Name: 6-methoxy-4-[2-(methylthio)anilino]-7-(3-morpholinopropoxy)quinoline-3-carboxamide Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C(=O)N)NC3=CC=CC=C3SC)OCCCN4CCOCC4

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C(=O)N)NC3=CC=CC=C3SC)OCCCN4CCOCC4

InChI

InChI=1S/C25H30N4O4S/c1-31-21-14-17-20(15-22(21)33-11-5-8-29-9-12-32-13-10-29)27-16-18(25(26)30)24(17)28-19-6-3-4-7-23(19)34-2/h3-4,6-7,14-16H,5,8-13H2,1-2H3,(H2,26,30)(H,27,28)