4-[[3-bromanyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile

Systemtic Name: 4-[[3-bromanyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile Openeye Name: 4-[3-bromo-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-6-methoxy-7-(3-morpholinopropoxy)quinoline-3-carbonitrile CAS Name: 4-[3-bromo-4-[(1-methyl-2-imidazolyl)thio]anilino]-6-methoxy-7-[3-(4-morpholinyl)propoxy]-3-quinolinecarbonitrile IUPAC Name: 4-[3-bromo-4-(1-methylimidazol-2-yl)sulfanylanilino]-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile Traditional Name: 4-[3-bromo-4-[(1-methylimidazol-2-yl)thio]anilino]-6-methoxy-7-(3-morpholinopropoxy)quinoline-3-carbonitrile Formula: C28H29BrN6O3S MolecularWeight: 609.53726

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C(C=NC4=CC(=C(C=C43)OC)OCCCN5CCOCC5)C#N)Br

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C(C=NC4=CC(=C(C=C43)OC)OCCCN5CCOCC5)C#N)Br

InChI

InChI=1S/C28H29BrN6O3S/c1-34-8-6-31-28(34)39-26-5-4-20(14-22(26)29)33-27-19(17-30)18-32-23-16-25(24(36-2)15-21(23)27)38-11-3-7-35-9-12-37-13-10-35/h4-6,8,14-16,18H,3,7,9-13H2,1-2H3,(H,32,33)