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

Systemtic Name: 6-methoxy-4-[[3-methyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile Openeye Name: 6-methoxy-4-[3-methyl-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-7-(3-morpholinopropoxy)quinoline-3-carbonitrile CAS Name: 6-methoxy-4-[3-methyl-4-[(1-methyl-2-imidazolyl)thio]anilino]-7-[3-(4-morpholinyl)propoxy]-3-quinolinecarbonitrile IUPAC Name: 6-methoxy-4-[3-methyl-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile Traditional Name: 6-methoxy-4-[3-methyl-4-[(1-methylimidazol-2-yl)thio]anilino]-7-(3-morpholinopropoxy)quinoline-3-carbonitrile Formula: C29H32N6O3S MolecularWeight: 544.66778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=C(C=NC3=CC(=C(C=C32)OC)OCCCN4CCOCC4)C#N)SC5=NC=CN5C

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=C(C=NC3=CC(=C(C=C32)OC)OCCCN4CCOCC4)C#N)SC5=NC=CN5C

InChI

InChI=1S/C29H32N6O3S/c1-20-15-22(5-6-27(20)39-29-31-7-9-34(29)2)33-28-21(18-30)19-32-24-17-26(25(36-3)16-23(24)28)38-12-4-8-35-10-13-37-14-11-35/h5-7,9,15-17,19H,4,8,10-14H2,1-3H3,(H,32,33)