N-tert-butyl-2-[4-[(5-pyridin-3-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[(5-pyridin-3-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[[5-(3-pyridyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[[5-(3-pyridinyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(5-pyridin-3-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[[5-(3-pyridyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperazine-1,4-diium-1-yl]acetamide Formula: C18H28N6O2S+2 MolecularWeight: 392.51892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CC[NH+](CC1)CN2C(=S)OC(=N2)C3=CN=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CC[NH+](CC1)CN2C(=S)OC(=N2)C3=CN=CC=C3

InChI

InChI=1S/C18H26N6O2S/c1-18(2,3)20-15(25)12-22-7-9-23(10-8-22)13-24-17(27)26-16(21-24)14-5-4-6-19-11-14/h4-6,11H,7-10,12-13H2,1-3H3,(H,20,25)/p+2