2-[4-(2-azanyl-2-sulfanylidene-ethyl)piperazin-1-ium-1-yl]-N-tert-butyl-ethanamide

Systemtic Name: 2-[4-(2-azanyl-2-sulfanylidene-ethyl)piperazin-1-ium-1-yl]-N-tert-butyl-ethanamide Openeye Name: 2-[4-(2-amino-2-thioxo-ethyl)piperazin-1-ium-1-yl]-N-tert-butyl-acetamide CAS Name: 2-[4-(2-amino-2-sulfanylideneethyl)-1-piperazin-1-iumyl]-N-tert-butylacetamide IUPAC Name: 2-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-ium-1-yl]-N-tert-butylacetamide Traditional Name: 2-[4-(2-amino-2-thioxo-ethyl)piperazin-1-ium-1-yl]-N-tert-butyl-acetamide Formula: C12H25N4OS+ MolecularWeight: 273.4181

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)CC(=S)N

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)CC(=S)N

InChI

InChI=1S/C12H24N4OS/c1-12(2,3)14-11(17)9-16-6-4-15(5-7-16)8-10(13)18/h4-9H2,1-3H3,(H2,13,18)(H,14,17)/p+1