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

Systemtic Name: N-[4-[4-(4-methoxyphenyl)carbonylpiperazin-1-yl]phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-[4-[4-[(4-methoxyphenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide IUPAC Name: N-[4-[4-(4-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[4-(4-p-anisoylpiperazino)phenyl]acetamide Formula: C28H30N5O3S+ MolecularWeight: 516.6345

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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=C(C=C5)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H29N5O3S/c1-31-25-6-4-3-5-24(25)30-28(31)37-19-26(34)29-21-9-11-22(12-10-21)32-15-17-33(18-16-32)27(35)20-7-13-23(36-2)14-8-20/h3-14H,15-19H2,1-2H3,(H,29,34)/p+1