3-[[5-(diethylsulfamoyl)-2-methyl-phenyl]carbamothioyl-(phenylmethyl)amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[5-(diethylsulfamoyl)-2-methyl-phenyl]carbamothioyl-(phenylmethyl)amino]propyl-dimethyl-azanium Openeye Name: 3-[benzyl-[[5-(diethylsulfamoyl)-2-methyl-phenyl]carbamothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[5-(diethylsulfamoyl)-2-methylanilino]-sulfanylidenemethyl]-(phenylmethyl)amino]propyl-dimethylammonium IUPAC Name: 3-[benzyl-[[5-(diethylsulfamoyl)-2-methylphenyl]carbamothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[benzyl-[[5-(diethylsulfamoyl)-2-methyl-phenyl]thiocarbamoyl]amino]propyl-dimethyl-ammonium Formula: C24H37N4O2S2+ MolecularWeight: 477.70618

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)N(CCC[NH+](C)C)CC2=CC=CC=C2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)N(CCC[NH+](C)C)CC2=CC=CC=C2

InChI

InChI=1S/C24H36N4O2S2/c1-6-28(7-2)32(29,30)22-15-14-20(3)23(18-22)25-24(31)27(17-11-16-26(4)5)19-21-12-9-8-10-13-21/h8-10,12-15,18H,6-7,11,16-17,19H2,1-5H3,(H,25,31)/p+1