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

Systemtic Name: N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-[2-(4-ethyl-1-piperazinyl)phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide IUPAC Name: N-[2-(4-ethylpiperazin-1-yl)phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-[2-(4-ethylpiperazino)phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C22H28N5OS+ MolecularWeight: 410.55562

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=CC=C2NC(=O)CSC3=[N+](C4=CC=CC=C4N3)C

Isomeric SMILES

CCN1CCN(CC1)C2=CC=CC=C2NC(=O)CSC3=[N+](C4=CC=CC=C4N3)C

InChI

InChI=1S/C22H27N5OS/c1-3-26-12-14-27(15-13-26)20-11-7-5-9-18(20)23-21(28)16-29-22-24-17-8-4-6-10-19(17)25(22)2/h4-11H,3,12-16H2,1-2H3,(H,23,28)/p+1