1-[3-fluoranyl-4-[4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-fluoranyl-4-[4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[3-fluoro-4-[4-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[3-fluoro-4-[4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[3-fluoro-4-[4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[3-fluoro-4-[4-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C20H21FN3OS2+ MolecularWeight: 402.528643

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CN3C4=CC=CC=C4SC3=S)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CN3C4=CC=CC=C4SC3=S)F

InChI

InChI=1S/C20H20FN3OS2/c1-14(25)15-6-7-17(16(21)12-15)23-10-8-22(9-11-23)13-24-18-4-2-3-5-19(18)27-20(24)26/h2-7,12H,8-11,13H2,1H3/p+1