3-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]propyl]-methyl-ammonium CAS Name: 3-[[[3-(dimethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[3-(dimethylsulfamoyl)phenyl]carbamothioylamino]propyl]-methylazanium Traditional Name: benzyl-[3-[[3-(dimethylsulfamoyl)phenyl]thiocarbamoylamino]propyl]-methyl-ammonium Formula: C20H29N4O2S2+ MolecularWeight: 421.59986

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=S)NC1=CC(=CC=C1)S(=O)(=O)N(C)C)CC2=CC=CC=C2

Isomeric SMILES

C[NH+](CCCNC(=S)NC1=CC(=CC=C1)S(=O)(=O)N(C)C)CC2=CC=CC=C2

InChI

InChI=1S/C20H28N4O2S2/c1-23(2)28(25,26)19-12-7-11-18(15-19)22-20(27)21-13-8-14-24(3)16-17-9-5-4-6-10-17/h4-7,9-12,15H,8,13-14,16H2,1-3H3,(H2,21,22,27)/p+1