N-tert-butyl-2-[4-[[3-(2-methylphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-[[3-(2-methylphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[[3-(o-tolyl)-2-thioxo-imidazol-1-yl]methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[[3-(2-methylphenyl)-2-sulfanylidene-1-imidazolyl]methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[[3-(2-methylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[[3-(o-tolyl)-2-thioxo-4-imidazolin-1-yl]methyl]piperazine-1,4-diium-1-yl]acetamide Formula: C21H33N5OS+2 MolecularWeight: 403.58462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=CN(C2=S)C[NH+]3CC[NH+](CC3)CC(=O)NC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1N2C=CN(C2=S)C[NH+]3CC[NH+](CC3)CC(=O)NC(C)(C)C

InChI

InChI=1S/C21H31N5OS/c1-17-7-5-6-8-18(17)26-14-13-25(20(26)28)16-24-11-9-23(10-12-24)15-19(27)22-21(2,3)4/h5-8,13-14H,9-12,15-16H2,1-4H3,(H,22,27)/p+2