N-[5-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[5-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-[5-chloro-2-(4-ethyl-1-piperazinyl)phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide IUPAC Name: N-[5-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-[5-chloro-2-(4-ethylpiperazino)phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C22H27ClN5OS+ MolecularWeight: 445.00068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN5OS/c1-3-27-10-12-28(13-11-27)20-9-8-16(23)14-18(20)24-21(29)15-30-22-25-17-6-4-5-7-19(17)26(22)2/h4-9,14H,3,10-13,15H2,1-2H3,(H,24,29)/p+1