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

Systemtic Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[2-(4-methyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[2-(4-methylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[2-(4-methylpiperazino)phenyl]acetamide Formula: C21H26N5OS+ MolecularWeight: 396.52904

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC=CC=C2NC(=O)CSC3=[N+](C4=CC=CC=C4N3)C

Isomeric SMILES

CN1CCN(CC1)C2=CC=CC=C2NC(=O)CSC3=[N+](C4=CC=CC=C4N3)C

InChI

InChI=1S/C21H25N5OS/c1-24-11-13-26(14-12-24)19-10-6-4-8-17(19)22-20(27)15-28-21-23-16-7-3-5-9-18(16)25(21)2/h3-10H,11-15H2,1-2H3,(H,22,27)/p+1