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

Systemtic Name: N-[4-[4-(2-methoxyphenyl)carbonylpiperazin-1-yl]phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: N-[4-[4-(2-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-[4-[4-[(2-methoxyphenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide IUPAC Name: N-[4-[4-(2-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-o-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=CC=C5OC

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=CC=C(C=C3)N4CCN(CC4)C(=O)C5=CC=CC=C5OC

InChI

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