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

Systemtic Name: 4-[(4-cyclohexylsulfanylphenyl)amino]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile Openeye Name: 4-(4-cyclohexylsulfanylanilino)-6-methoxy-7-(3-morpholinopropoxy)quinoline-3-carbonitrile CAS Name: 4-[4-(cyclohexylthio)anilino]-6-methoxy-7-[3-(4-morpholinyl)propoxy]-3-quinolinecarbonitrile IUPAC Name: 4-(4-cyclohexylsulfanylanilino)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile Traditional Name: 4-[4-(cyclohexylthio)anilino]-6-methoxy-7-(3-morpholinopropoxy)quinoline-3-carbonitrile Formula: C30H36N4O3S MolecularWeight: 532.69684

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC=C(C=C3)SC4CCCCC4)OCCCN5CCOCC5

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=C(C=N2)C#N)NC3=CC=C(C=C3)SC4CCCCC4)OCCCN5CCOCC5

InChI

InChI=1S/C30H36N4O3S/c1-35-28-18-26-27(19-29(28)37-15-5-12-34-13-16-36-17-14-34)32-21-22(20-31)30(26)33-23-8-10-25(11-9-23)38-24-6-3-2-4-7-24/h8-11,18-19,21,24H,2-7,12-17H2,1H3,(H,32,33)