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

Systemtic Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[4-[4-(4-methylphenyl)carbonylpiperazin-1-yl]phenyl]ethanamide Openeye Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]acetamide CAS Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[4-[4-[(4-methylphenyl)-oxomethyl]-1-piperazinyl]phenyl]acetamide IUPAC Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[4-[4-(4-methylbenzoyl)piperazin-1-yl]phenyl]acetamide Traditional Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[4-(4-p-toluoylpiperazino)phenyl]acetamide Formula: C28H30N5O2S+ MolecularWeight: 500.6351

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=[N+](C5=CC=CC=C5N4)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)N2CCN(CC2)C3=CC=C(C=C3)NC(=O)CSC4=[N+](C5=CC=CC=C5N4)C

InChI

InChI=1S/C28H29N5O2S/c1-20-7-9-21(10-8-20)27(35)33-17-15-32(16-18-33)23-13-11-22(12-14-23)29-26(34)19-36-28-30-24-5-3-4-6-25(24)31(28)2/h3-14H,15-19H2,1-2H3,(H,29,34)/p+1