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

Systemtic Name: 6-methoxy-4-[(2-methylsulfanylphenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile Openeye Name: 6-methoxy-4-(2-methylsulfanylanilino)-7-(3-morpholinopropoxy)quinoline-3-carbonitrile CAS Name: 6-methoxy-4-[2-(methylthio)anilino]-7-[3-(4-morpholinyl)propoxy]-3-quinolinecarbonitrile IUPAC Name: 6-methoxy-4-(2-methylsulfanylanilino)-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile Traditional Name: 6-methoxy-4-[2-(methylthio)anilino]-7-(3-morpholinopropoxy)quinoline-3-carbonitrile Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O3S/c1-30-22-14-19-21(15-23(22)32-11-5-8-29-9-12-31-13-10-29)27-17-18(16-26)25(19)28-20-6-3-4-7-24(20)33-2/h3-4,6-7,14-15,17H,5,8-13H2,1-2H3,(H,27,28)