dimethyl-[3-[[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]carbamothioylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]carbamothioylamino]propyl]azanium Openeye Name: dimethyl-[3-[[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]carbamothioylamino]propyl]ammonium CAS Name: dimethyl-[3-[[[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]carbamothioylamino]propyl]azanium Traditional Name: dimethyl-[3-[[[2-[methyl(tosyl)amino]acetyl]amino]thiocarbamoylamino]propyl]ammonium Formula: C16H28N5O3S2+ MolecularWeight: 402.55522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NNC(=S)NCCC[NH+](C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)CC(=O)NNC(=S)NCCC[NH+](C)C

InChI

InChI=1S/C16H27N5O3S2/c1-13-6-8-14(9-7-13)26(23,24)21(4)12-15(22)18-19-16(25)17-10-5-11-20(2)3/h6-9H,5,10-12H2,1-4H3,(H,18,22)(H2,17,19,25)/p+1