2-[[2-(butylamino)-5-(dimethylsulfamoyl)phenyl]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[2-(butylamino)-5-(dimethylsulfamoyl)phenyl]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[2-(butylamino)-5-(dimethylsulfamoyl)phenyl]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[2-(butylamino)-5-(dimethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[2-(butylamino)-5-(dimethylsulfamoyl)phenyl]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[2-(butylamino)-5-(dimethylsulfamoyl)phenyl]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C17H32N5O2S2+ MolecularWeight: 402.59828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NCC[NH+](C)C

Isomeric SMILES

CCCCNC1=C(C=C(C=C1)S(=O)(=O)N(C)C)NC(=S)NCC[NH+](C)C

InChI

InChI=1S/C17H31N5O2S2/c1-6-7-10-18-15-9-8-14(26(23,24)22(4)5)13-16(15)20-17(25)19-11-12-21(2)3/h8-9,13,18H,6-7,10-12H2,1-5H3,(H2,19,20,25)/p+1