N-(2-cyanoethyl)-N-methyl-6-[(3-methylsulfanylphenyl)sulfamoyl]-4-oxidanylidene-1H-quinoline-3-carboxamide

Systemtic Name: N-(2-cyanoethyl)-N-methyl-6-[(3-methylsulfanylphenyl)sulfamoyl]-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: N-(2-cyanoethyl)-N-methyl-6-[(3-methylsulfanylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide CAS Name: N-(2-cyanoethyl)-N-methyl-6-[[3-(methylthio)phenyl]sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-(2-cyanoethyl)-N-methyl-6-[(3-methylsulfanylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide Traditional Name: N-(2-cyanoethyl)-4-keto-N-methyl-6-[[3-(methylthio)phenyl]sulfamoyl]-1H-quinoline-3-carboxamide Formula: C21H20N4O4S2 MolecularWeight: 456.5379

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)C1=CNC2=C(C1=O)C=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CN(CCC#N)C(=O)C1=CNC2=C(C1=O)C=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C21H20N4O4S2/c1-25(10-4-9-22)21(27)18-13-23-19-8-7-16(12-17(19)20(18)26)31(28,29)24-14-5-3-6-15(11-14)30-2/h3,5-8,11-13,24H,4,10H2,1-2H3,(H,23,26)