2-phenoxyethyl-[2-[[2-(2-phenoxyethylazaniumyl)ethylcarbamothioyldisulfanyl]carbothioylamino]ethyl]azanium

Systemtic Name: 2-phenoxyethyl-[2-[[2-(2-phenoxyethylazaniumyl)ethylcarbamothioyldisulfanyl]carbothioylamino]ethyl]azanium Openeye Name: 2-phenoxyethyl-[2-[[2-(2-phenoxyethylammonio)ethylcarbamothioyldisulfanyl]carbothioylamino]ethyl]ammonium CAS Name: 2-phenoxyethyl-[2-[[[[[2-(2-phenoxyethylammonio)ethylamino]-sulfanylidenemethyl]disulfanyl]-sulfanylidenemethyl]amino]ethyl]ammonium IUPAC Name: 2-phenoxyethyl-[2-[[2-(2-phenoxyethylazaniumyl)ethylcarbamothioyldisulfanyl]carbothioylamino]ethyl]azanium Traditional Name: 2-phenoxyethyl-[2-[[2-(2-phenoxyethylammonio)ethylthiocarbamoyldisulfanyl]carbothioylamino]ethyl]ammonium Formula: C22H32N4O2S4+2 MolecularWeight: 512.77508

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC[NH2+]CCNC(=S)SSC(=S)NCC[NH2+]CCOC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)OCC[NH2+]CCNC(=S)SSC(=S)NCC[NH2+]CCOC2=CC=CC=C2

InChI

InChI=1S/C22H30N4O2S4/c29-21(25-13-11-23-15-17-27-19-7-3-1-4-8-19)31-32-22(30)26-14-12-24-16-18-28-20-9-5-2-6-10-20/h1-10,23-24H,11-18H2,(H,25,29)(H,26,30)/p+2