3-[[5-(diethylsulfamoyl)-2-methoxy-phenyl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[5-(diethylsulfamoyl)-2-methoxy-phenyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[5-(diethylsulfamoyl)-2-methoxy-phenyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[5-(diethylsulfamoyl)-2-methoxyanilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[5-(diethylsulfamoyl)-2-methoxyphenyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[5-(diethylsulfamoyl)-2-methoxy-phenyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C17H31N4O3S2+ MolecularWeight: 403.58304

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=S)NCCC[NH+](C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)OC)NC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C17H30N4O3S2/c1-6-21(7-2)26(22,23)14-9-10-16(24-5)15(13-14)19-17(25)18-11-8-12-20(3)4/h9-10,13H,6-8,11-12H2,1-5H3,(H2,18,19,25)/p+1