2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]carbamothioylamino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]carbamothioylamino]ethyl-dimethyl-azanium Openeye Name: 2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]carbamothioylamino]ethyl-dimethyl-ammonium CAS Name: 2-[[[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-sulfanylidenemethyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]carbamothioylamino]ethyl-dimethylazanium Traditional Name: 2-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]thiocarbamoylamino]ethyl-dimethyl-ammonium Formula: C17H31N4O2S2+ MolecularWeight: 387.58364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H30N4O2S2/c1-6-21(7-2)25(22,23)16-10-8-15(9-11-16)14(3)19-17(24)18-12-13-20(4)5/h8-11,14H,6-7,12-13H2,1-5H3,(H2,18,19,24)/p+1/t14-/m0/s1