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

Systemtic Name: N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide CAS Name: N-[4-(4-ethyl-1-piperazinyl)phenyl]-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]acetamide IUPAC Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[4-(4-ethylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[4-(4-ethylpiperazino)phenyl]acetamide Formula: C28H32N5OS+ MolecularWeight: 486.65158

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

Isomeric SMILES

CCN1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)CC5=CC=CC=C5

InChI

InChI=1S/C28H31N5OS/c1-2-31-16-18-32(19-17-31)24-14-12-23(13-15-24)29-27(34)21-35-28-30-25-10-6-7-11-26(25)33(28)20-22-8-4-3-5-9-22/h3-15H,2,16-21H2,1H3,(H,29,34)/p+1