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

Systemtic Name: N-tert-butyl-2-[4-[(4-phenyl-5-sulfanylidene-1,2,3,4-tetrazol-1-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[(4-phenyl-5-thioxo-tetrazol-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[(4-phenyl-5-sulfanylidene-1-tetrazolyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[(4-phenyl-5-sulfanylidenetetrazol-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[(4-phenyl-5-thioxo-tetrazol-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Formula: C18H29N7OS+2 MolecularWeight: 391.53416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N7OS/c1-18(2,3)19-16(26)13-22-9-11-23(12-10-22)14-24-17(27)25(21-20-24)15-7-5-4-6-8-15/h4-8H,9-14H2,1-3H3,(H,19,26)/p+2