N-(4-fluorophenyl)-2-[4-[(3-methyl-2-sulfanylidene-benzimidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(4-fluorophenyl)-2-[4-[(3-methyl-2-sulfanylidene-benzimidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[4-[(3-methyl-2-thioxo-benzimidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide CAS Name: N-(4-fluorophenyl)-2-[4-[(3-methyl-2-sulfanylidene-1-benzimidazolyl)methyl]-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[4-[(3-methyl-2-sulfanylidenebenzimidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[4-[(3-methyl-2-thioxo-benzimidazol-1-yl)methyl]piperazine-1,4-diium-1-yl]acetamide Formula: C21H26FN5OS+2 MolecularWeight: 415.527443

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=S)C[NH+]3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=S)C[NH+]3CC[NH+](CC3)CC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C21H24FN5OS/c1-24-18-4-2-3-5-19(18)27(21(24)29)15-26-12-10-25(11-13-26)14-20(28)23-17-8-6-16(22)7-9-17/h2-9H,10-15H2,1H3,(H,23,28)/p+2