2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-(1H-benzimidazol-2-ylsulfanyl)ethanone CAS Name: 1-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-(1H-benzimidazol-2-ylthio)ethanone IUPAC Name: 1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-(1H-benzimidazol-2-ylsulfanyl)ethanone Traditional Name: 1-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-(1H-benzimidazol-2-ylthio)ethanone Formula: C21H21FN4O2S MolecularWeight: 412.480443

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N3)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N3)F

InChI

InChI=1S/C21H21FN4O2S/c1-14(27)15-6-7-19(16(22)12-15)25-8-10-26(11-9-25)20(28)13-29-21-23-17-4-2-3-5-18(17)24-21/h2-7,12H,8-11,13H2,1H3,(H,23,24)