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

Systemtic Name: N-tert-butyl-2-[4-[[3-(3-methoxyphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[[3-(3-methoxyphenyl)-2-thioxo-imidazol-1-yl]methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[[3-(3-methoxyphenyl)-2-sulfanylidene-1-imidazolyl]methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[[3-(3-methoxyphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[[3-(3-methoxyphenyl)-2-thioxo-4-imidazolin-1-yl]methyl]piperazine-1,4-diium-1-yl]acetamide Formula: C21H33N5O2S+2 MolecularWeight: 419.58402

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CC[NH+](CC1)CN2C=CN(C2=S)C3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CC[NH+](CC1)CN2C=CN(C2=S)C3=CC(=CC=C3)OC

InChI

InChI=1S/C21H31N5O2S/c1-21(2,3)22-19(27)15-23-8-10-24(11-9-23)16-25-12-13-26(20(25)29)17-6-5-7-18(14-17)28-4/h5-7,12-14H,8-11,15-16H2,1-4H3,(H,22,27)/p+2