3-[[4-chloranyl-3-(diethylsulfamoyl)phenyl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-chloranyl-3-(diethylsulfamoyl)phenyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-chloro-3-(diethylsulfamoyl)phenyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-chloro-3-(diethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-chloro-3-(diethylsulfamoyl)phenyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[4-chloro-3-(diethylsulfamoyl)phenyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C16H28ClN4O2S2+ MolecularWeight: 408.00212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27ClN4O2S2/c1-5-21(6-2)25(22,23)15-12-13(8-9-14(15)17)19-16(24)18-10-7-11-20(3)4/h8-9,12H,5-7,10-11H2,1-4H3,(H2,18,19,24)/p+1