N-[[5-(diethylsulfamoyl)-2-morpholin-4-yl-phenyl]carbamothioyl]-2-(furan-2-yl)quinoline-4-carboxamide

Systemtic Name: N-[[5-(diethylsulfamoyl)-2-morpholin-4-yl-phenyl]carbamothioyl]-2-(furan-2-yl)quinoline-4-carboxamide Openeye Name: N-[[5-(diethylsulfamoyl)-2-morpholino-phenyl]carbamothioyl]-2-(2-furyl)quinoline-4-carboxamide CAS Name: N-[[5-(diethylsulfamoyl)-2-(4-morpholinyl)anilino]-sulfanylidenemethyl]-2-(2-furanyl)-4-quinolinecarboxamide IUPAC Name: N-[[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]carbamothioyl]-2-(furan-2-yl)quinoline-4-carboxamide Traditional Name: N-[[5-(diethylsulfamoyl)-2-morpholino-phenyl]thiocarbamoyl]-2-(2-furyl)cinchoninamide Formula: C29H31N5O5S2 MolecularWeight: 593.71694

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CO5

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)NC(=S)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CO5

InChI

InChI=1S/C29H31N5O5S2/c1-3-34(4-2)41(36,37)20-11-12-26(33-13-16-38-17-14-33)24(18-20)31-29(40)32-28(35)22-19-25(27-10-7-15-39-27)30-23-9-6-5-8-21(22)23/h5-12,15,18-19H,3-4,13-14,16-17H2,1-2H3,(H2,31,32,35,40)