2-[4-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]-1-piperazin-1-iumyl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-[2-(1H-benzimidazol-2-ylthio)acetyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Formula: C21H23FN5O2S+ MolecularWeight: 428.503023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H22FN5O2S/c22-15-5-7-16(8-6-15)23-19(28)13-26-9-11-27(12-10-26)20(29)14-30-21-24-17-3-1-2-4-18(17)25-21/h1-8H,9-14H2,(H,23,28)(H,24,25)/p+1