2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]ethanamide

Systemtic Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[4-[4-(phenylcarbonyl)piperazin-1-yl]phenyl]ethanamide Openeye Name: N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-[4-(4-benzoyl-1-piperazinyl)phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide IUPAC Name: N-[4-(4-benzoylpiperazin-1-yl)phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-[4-(4-benzoylpiperazino)phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C27H28N5O2S+ MolecularWeight: 486.60852

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C5=CC=CC=C5

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H27N5O2S/c1-30-24-10-6-5-9-23(24)29-27(30)35-19-25(33)28-21-11-13-22(14-12-21)31-15-17-32(18-16-31)26(34)20-7-3-2-4-8-20/h2-14H,15-19H2,1H3,(H,28,33)/p+1