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

Systemtic Name: N-butyl-6-[(3-methylsulfanylphenyl)sulfamoyl]-4-oxidanylidene-1H-quinoline-3-carboxamide Openeye Name: N-butyl-6-[(3-methylsulfanylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide CAS Name: N-butyl-6-[[3-(methylthio)phenyl]sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide IUPAC Name: N-butyl-6-[(3-methylsulfanylphenyl)sulfamoyl]-4-oxo-1H-quinoline-3-carboxamide Traditional Name: N-butyl-4-keto-6-[[3-(methylthio)phenyl]sulfamoyl]-1H-quinoline-3-carboxamide Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CNC2=C(C1=O)C=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)SC

Isomeric SMILES

CCCCNC(=O)C1=CNC2=C(C1=O)C=C(C=C2)S(=O)(=O)NC3=CC(=CC=C3)SC

InChI

InChI=1S/C21H23N3O4S2/c1-3-4-10-22-21(26)18-13-23-19-9-8-16(12-17(19)20(18)25)30(27,28)24-14-6-5-7-15(11-14)29-2/h5-9,11-13,24H,3-4,10H2,1-2H3,(H,22,26)(H,23,25)