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

Systemtic Name: N-[4-[4-(3-bromophenyl)carbonylpiperazin-1-yl]phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: N-[4-[4-(3-bromobenzoyl)piperazin-1-yl]phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-[4-[4-[(3-bromophenyl)-oxomethyl]-1-piperazinyl]phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide IUPAC Name: N-[4-[4-(3-bromobenzoyl)piperazin-1-yl]phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-[4-[4-(3-bromobenzoyl)piperazino]phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C27H27BrN5O2S+ MolecularWeight: 565.50458

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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)Br

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)Br

InChI

InChI=1S/C27H26BrN5O2S/c1-31-24-8-3-2-7-23(24)30-27(31)36-18-25(34)29-21-9-11-22(12-10-21)32-13-15-33(16-14-32)26(35)19-5-4-6-20(28)17-19/h2-12,17H,13-16,18H2,1H3,(H,29,34)/p+1