sodium 4-[2-(4-dithiocarboxypiperazin-1-yl)ethyl]piperazine-1-carbodithioate hydrate

Systemtic Name: sodium 4-[2-(4-dithiocarboxypiperazin-1-yl)ethyl]piperazine-1-carbodithioate hydrate Openeye Name: sodium 4-[2-(4-dithiocarboxypiperazin-1-yl)ethyl]piperazine-1-carbodithioate hydrate CAS Name: sodium 4-[2-(4-dithiocarboxy-1-piperazinyl)ethyl]-1-piperazinecarbodithioate hydrate IUPAC Name: sodium 4-[2-(4-dithiocarboxypiperazin-1-yl)ethyl]piperazine-1-carbodithioate hydrate Traditional Name: sodium 4-[2-(4-dithiocarboxypiperazino)ethyl]piperazine-1-carbodithioate hydrate Formula: C12H23N4NaOS4 MolecularWeight: 390.58699

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2CCN(CC2)C(=S)[S-])C(=S)S.O.[Na+]

Isomeric SMILES

C1CN(CCN1CCN2CCN(CC2)C(=S)[S-])C(=S)S.O.[Na+]

InChI

InChI=1S/C12H22N4S4.Na.H2O/c17-11(18)15-7-3-13(4-8-15)1-2-14-5-9-16(10-6-14)12(19)20;;/h1-10H2,(H,17,18)(H,19,20);;1H2/q;+1;/p-1