1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-benzimidazole-2-thione

Systemtic Name: 1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-benzimidazole-2-thione Openeye Name: 1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-benzimidazole-2-thione CAS Name: 1-[[4-(3-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-methyl-2-benzimidazolethione IUPAC Name: 1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methylbenzimidazole-2-thione Traditional Name: 1-[[4-(3-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-methyl-benzimidazole-2-thione Formula: C19H22FN4O2S2+ MolecularWeight: 421.531983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21FN4O2S2/c1-21-17-7-2-3-8-18(17)24(19(21)27)14-22-9-11-23(12-10-22)28(25,26)16-6-4-5-15(20)13-16/h2-8,13H,9-12,14H2,1H3/p+1