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

Systemtic Name: N-[4-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: N-[4-[4-(3-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-[4-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide IUPAC Name: N-[4-[4-(3-methoxybenzoyl)piperazin-1-yl]phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-[4-(4-m-anisoylpiperazino)phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]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=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(=CC=C5)OC

InChI

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