2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide

Systemtic Name: 2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanyl-acetamide CAS Name: 2-[(1-ethyl-2-benzimidazolyl)thio]-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]acetamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-[(1-ethylbenzimidazol-2-yl)thio]acetamide Formula: C28H32N5OS+ MolecularWeight: 486.65158

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)N4CC[NH+](CC4)CC5=CC=CC=C5

InChI

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