[azanyl-[5-(methylcarbamothioylamino)pentylsulfanyl]methylidene]azanium ethanoate hydrate

Systemtic Name: [azanyl-[5-(methylcarbamothioylamino)pentylsulfanyl]methylidene]azanium ethanoate hydrate Openeye Name: [amino-[5-(methylcarbamothioylamino)pentylsulfanyl]methylene]ammonium acetate hydrate CAS Name: [amino-[5-[[methylamino(sulfanylidene)methyl]amino]pentylthio]methylidene]ammonium acetate hydrate IUPAC Name: [amino-[5-(methylcarbamothioylamino)pentylsulfanyl]methylidene]azanium acetate hydrate Traditional Name: [amino-[5-(methylthiocarbamoylamino)pentylthio]methylene]ammonium acetate hydrate Formula: C10H24N4O3S2 MolecularWeight: 312.45256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H18N4S2.C2H4O2.H2O/c1-11-8(13)12-5-3-2-4-6-14-7(9)10;1-2(3)4;/h2-6H2,1H3,(H3,9,10)(H2,11,12,13);1H3,(H,3,4);1H2