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

Systemtic Name: dimethyl-[2-[[2-[methyl-(4-methylphenyl)sulfonyl-amino]ethanoylamino]carbamothioylamino]ethyl]azanium Openeye Name: dimethyl-[2-[[[2-[methyl(p-tolylsulfonyl)amino]acetyl]amino]carbamothioylamino]ethyl]ammonium CAS Name: dimethyl-[2-[[[[2-[methyl-(4-methylphenyl)sulfonylamino]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: dimethyl-[2-[[[2-[methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]carbamothioylamino]ethyl]azanium Traditional Name: dimethyl-[2-[[[2-[methyl(tosyl)amino]acetyl]amino]thiocarbamoylamino]ethyl]ammonium Formula: C15H26N5O3S2+ MolecularWeight: 388.52864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25N5O3S2/c1-12-5-7-13(8-6-12)25(22,23)20(4)11-14(21)17-18-15(24)16-9-10-19(2)3/h5-8H,9-11H2,1-4H3,(H,17,21)(H2,16,18,24)/p+1