N-[4-(4-ethanoylpiperazin-1-yl)phenyl]-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-[4-(4-ethanoylpiperazin-1-yl)phenyl]-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-[4-(4-acetyl-1-piperazinyl)phenyl]-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: N-[4-(4-acetylpiperazin-1-yl)phenyl]-2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-[4-(4-acetylpiperazino)phenyl]-2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C28H30N5O2S+ MolecularWeight: 500.6351

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

InChI

InChI=1S/C28H29N5O2S/c1-21(34)31-15-17-32(18-16-31)24-13-11-23(12-14-24)29-27(35)20-36-28-30-25-9-5-6-10-26(25)33(28)19-22-7-3-2-4-8-22/h2-14H,15-20H2,1H3,(H,29,35)/p+1