[azanyl-[6-(methylcarbamothioylamino)hexylsulfanyl]methylidene]azanium ethanoate hydrate

Systemtic Name: [azanyl-[6-(methylcarbamothioylamino)hexylsulfanyl]methylidene]azanium ethanoate hydrate Openeye Name: [amino-[6-(methylcarbamothioylamino)hexylsulfanyl]methylene]ammonium acetate hydrate CAS Name: [amino-[6-[[methylamino(sulfanylidene)methyl]amino]hexylthio]methylidene]ammonium acetate hydrate IUPAC Name: [amino-[6-(methylcarbamothioylamino)hexylsulfanyl]methylidene]azanium acetate hydrate Traditional Name: [amino-[6-(methylthiocarbamoylamino)hexylthio]methylene]ammonium acetate hydrate Formula: C11H26N4O3S2 MolecularWeight: 326.47914

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CNC(=S)NCCCCCCSC(=[NH2+])N.O

Isomeric SMILES

CC(=O)[O-].CNC(=S)NCCCCCCSC(=[NH2+])N.O

InChI

InChI=1S/C9H20N4S2.C2H4O2.H2O/c1-12-9(14)13-6-4-2-3-5-7-15-8(10)11;1-2(3)4;/h2-7H2,1H3,(H3,10,11)(H2,12,13,14);1H3,(H,3,4);1H2