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

Systemtic Name: 6-methoxy-4-[[4-(1-methylimidazol-2-yl)sulfanylphenyl]amino]-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile Openeye Name: 6-methoxy-4-[4-(1-methylimidazol-2-yl)sulfanylanilino]-7-(3-morpholinopropoxy)quinoline-3-carbonitrile CAS Name: 6-methoxy-4-[4-[(1-methyl-2-imidazolyl)thio]anilino]-7-[3-(4-morpholinyl)propoxy]-3-quinolinecarbonitrile IUPAC Name: 6-methoxy-4-[4-(1-methylimidazol-2-yl)sulfanylanilino]-7-(3-morpholin-4-ylpropoxy)quinoline-3-carbonitrile Traditional Name: 6-methoxy-4-[4-[(1-methylimidazol-2-yl)thio]anilino]-7-(3-morpholinopropoxy)quinoline-3-carbonitrile Formula: C28H30N6O3S MolecularWeight: 530.6412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30N6O3S/c1-33-10-8-30-28(33)38-22-6-4-21(5-7-22)32-27-20(18-29)19-31-24-17-26(25(35-2)16-23(24)27)37-13-3-9-34-11-14-36-15-12-34/h4-8,10,16-17,19H,3,9,11-15H2,1-2H3,(H,31,32)