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

Systemtic Name: N-[3-chloranyl-2-(4-ethylpiperazin-1-yl)phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-[3-chloro-2-(4-ethyl-1-piperazinyl)phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide IUPAC Name: N-[3-chloro-2-(4-ethylpiperazin-1-yl)phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-[3-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=CC=C2Cl)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)C

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)C

InChI

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