3-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]carbamothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]carbamothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: 3-[[[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]amino]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C18H33N4O2S2+ MolecularWeight: 401.61022

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32N4O2S2/c1-6-22(7-2)26(23,24)17-11-9-16(10-12-17)15(3)20-18(25)19-13-8-14-21(4)5/h9-12,15H,6-8,13-14H2,1-5H3,(H2,19,20,25)/p+1/t15-/m0/s1