1-[4-[4-[[3-(4-methoxyphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[[3-(4-methoxyphenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[[3-(4-methoxyphenyl)-2-thioxo-imidazol-1-yl]methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[[3-(4-methoxyphenyl)-2-sulfanylidene-1-imidazolyl]methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[[3-(4-methoxyphenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[[3-(4-methoxyphenyl)-2-thioxo-4-imidazolin-1-yl]methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C23H27N4O2S+ MolecularWeight: 423.55108

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CN3C=CN(C3=S)C4=CC=C(C=C4)OC

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CN3C=CN(C3=S)C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H26N4O2S/c1-18(28)19-3-5-20(6-4-19)25-13-11-24(12-14-25)17-26-15-16-27(23(26)30)21-7-9-22(29-2)10-8-21/h3-10,15-16H,11-14,17H2,1-2H3/p+1