dimethyl-[3-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]carbamothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[4-[methyl-(phenylmethyl)sulfamoyl]phenyl]carbamothioylamino]propyl]azanium Openeye Name: 3-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioylamino]propyl-dimethyl-ammonium CAS Name: dimethyl-[3-[[[4-[methyl-(phenylmethyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: 3-[[4-[benzyl(methyl)sulfamoyl]phenyl]carbamothioylamino]propyl-dimethylazanium Traditional Name: 3-[[4-[benzyl(methyl)sulfamoyl]phenyl]thiocarbamoylamino]propyl-dimethyl-ammonium Formula: C20H29N4O2S2+ MolecularWeight: 421.59986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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