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

Systemtic Name: 4-[[3-chloranyl-4-(1-methylimidazol-2-yl)sulfanyl-phenyl]amino]-7-piperidin-1-yl-6-(2-thiomorpholin-4-ylethoxy)quinoline-3-carbonitrile Openeye Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanyl-anilino]-7-(1-piperidyl)-6-(2-thiomorpholinoethoxy)quinoline-3-carbonitrile CAS Name: 4-[3-chloro-4-[(1-methyl-2-imidazolyl)thio]anilino]-7-(1-piperidinyl)-6-(2-thiomorpholin-4-ylethoxy)-3-quinolinecarbonitrile IUPAC Name: 4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-7-piperidin-1-yl-6-(2-thiomorpholin-4-ylethoxy)quinoline-3-carbonitrile Traditional Name: 4-[3-chloro-4-[(1-methylimidazol-2-yl)thio]anilino]-7-piperidino-6-(2-thiomorpholinoethoxy)quinoline-3-carbonitrile Formula: C31H34ClN7OS2 MolecularWeight: 620.23096

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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)N6CCCCC6)C#N)Cl

Isomeric SMILES

CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C(C=NC4=CC(=C(C=C43)OCCN5CCSCC5)N6CCCCC6)C#N)Cl

InChI

InChI=1S/C31H34ClN7OS2/c1-37-10-7-34-31(37)42-29-6-5-23(17-25(29)32)36-30-22(20-33)21-35-26-19-27(39-8-3-2-4-9-39)28(18-24(26)30)40-14-11-38-12-15-41-16-13-38/h5-7,10,17-19,21H,2-4,8-9,11-16H2,1H3,(H,35,36)