2-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-phenyl]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[5-(diethylsulfamoyl)-2-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[5-(diethylsulfamoyl)-2-pyrrolidino-phenyl]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C19H34N5O2S2+ MolecularWeight: 428.63556

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=S)NCC[NH+](C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)NC(=S)NCC[NH+](C)C

InChI

InChI=1S/C19H33N5O2S2/c1-5-24(6-2)28(25,26)16-9-10-18(23-12-7-8-13-23)17(15-16)21-19(27)20-11-14-22(3)4/h9-10,15H,5-8,11-14H2,1-4H3,(H2,20,21,27)/p+1