4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-pyrrolidin-1-yl-6-(2-thiomorpholin-4-ylethoxy)quinoline-3-carbonitrile

Systemtic Name: 4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-pyrrolidin-1-yl-6-(2-thiomorpholin-4-ylethoxy)quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-7-pyrrolidin-1-yl-6-(2-thiomorpholinoethoxy)quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-7-(1-pyrrolidinyl)-6-(2-thiomorpholin-4-ylethoxy)-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-pyrrolidin-1-yl-6-(2-thiomorpholin-4-ylethoxy)quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-7-pyrrolidino-6-(2-thiomorpholinoethoxy)quinoline-3-carbonitrile Formula: C30H32ClN7OS2 MolecularWeight: 606.20438

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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)OCCN5CCSCC5)N6CCCC6)C#N)Cl

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C(C=NC4=CC(=C(C=C43)OCCN5CCSCC5)N6CCCC6)C#N)Cl

InChI

InChI=1S/C30H32ClN7OS2/c1-36-9-6-33-30(36)41-28-5-4-22(16-24(28)31)35-29-21(19-32)20-34-25-18-26(38-7-2-3-8-38)27(17-23(25)29)39-13-10-37-11-14-40-15-12-37/h4-6,9,16-18,20H,2-3,7-8,10-15H2,1H3,(H,34,35)