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

Systemtic Name: 1-[4-[4-[(3-methyl-2-sulfanylidene-imidazol-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-[(3-methyl-2-thioxo-imidazol-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[(3-methyl-2-sulfanylidene-1-imidazolyl)methyl]-1-piperazin-4-iumyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(3-methyl-2-sulfanylideneimidazol-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-[(3-methyl-2-thioxo-4-imidazolin-1-yl)methyl]piperazin-4-ium-1-yl]sulfonylphenyl]ethanone Formula: C17H23N4O3S2+ MolecularWeight: 395.51952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3S2/c1-14(22)15-3-5-16(6-4-15)26(23,24)21-11-8-19(9-12-21)13-20-10-7-18(2)17(20)25/h3-7,10H,8-9,11-13H2,1-2H3/p+1