N-butylcarbamodithioate; nickel(2+); N-[2-(sulfanidylcarbothioylamino)ethyl]carbamodithioate

Systemtic Name: N-butylcarbamodithioate; nickel(2+); N-[2-(sulfanidylcarbothioylamino)ethyl]carbamodithioate Openeye Name: tetranickelous; N-butylcarbamodithioate; N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate CAS Name: N-butylcarbamodithioate; nickel(2+); N-[2-[[sulfanylidene(sulfido)methyl]amino]ethyl]carbamodithioate IUPAC Name: N-butylcarbamodithioate; nickel(2+); N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate Traditional Name: tetranickelous; N-butylcarbamodithioate; N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate Formula: C22H38N8Ni4S16 MolecularWeight: 1162.40432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)[S-].CCCCNC(=S)[S-].C(CNC(=S)[S-])NC(=S)[S-].C(CNC(=S)[S-])NC(=S)[S-].C(CNC(=S)[S-])NC(=S)[S-].[Ni+2].[Ni+2].[Ni+2].[Ni+2]

Isomeric SMILES

CCCCNC(=S)[S-].CCCCNC(=S)[S-].C(CNC(=S)[S-])NC(=S)[S-].C(CNC(=S)[S-])NC(=S)[S-].C(CNC(=S)[S-])NC(=S)[S-].[Ni+2].[Ni+2].[Ni+2].[Ni+2]

InChI

InChI=1S/2C5H11NS2.3C4H8N2S4.4Ni/c2*1-2-3-4-6-5(7)8;3*7-3(8)5-1-2-6-4(9)10;;;;/h2*2-4H2,1H3,(H2,6,7,8);3*1-2H2,(H2,5,7,8)(H2,6,9,10);;;;/q;;;;;4*+2/p-8