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

Systemtic Name: N-tert-butyl-2-[4-[[3-(3,4-dimethylphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[[3-(3,4-dimethylphenyl)-2-thioxo-imidazol-1-yl]methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[[3-(3,4-dimethylphenyl)-2-sulfanylidene-1-imidazolyl]methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-[[3-(3,4-dimethylphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[[3-(3,4-dimethylphenyl)-2-thioxo-4-imidazolin-1-yl]methyl]piperazine-1,4-diium-1-yl]acetamide Formula: C22H35N5OS+2 MolecularWeight: 417.6112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=CN(C2=S)C[NH+]3CC[NH+](CC3)CC(=O)NC(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=CN(C2=S)C[NH+]3CC[NH+](CC3)CC(=O)NC(C)(C)C)C

InChI

InChI=1S/C22H33N5OS/c1-17-6-7-19(14-18(17)2)27-13-12-26(21(27)29)16-25-10-8-24(9-11-25)15-20(28)23-22(3,4)5/h6-7,12-14H,8-11,15-16H2,1-5H3,(H,23,28)/p+2