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

Systemtic Name: N-[3-chloranyl-2-(4-methylpiperazin-1-yl)phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: N-[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-[3-chloro-2-(4-methyl-1-piperazinyl)phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide IUPAC Name: N-[3-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-[3-chloro-2-(4-methylpiperazino)phenyl]-2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetamide Formula: C21H25ClN5OS+ MolecularWeight: 430.9741

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)C

Isomeric SMILES

CN1CCN(CC1)C2=C(C=CC=C2Cl)NC(=O)CSC3=[N+](C4=CC=CC=C4N3)C

InChI

InChI=1S/C21H24ClN5OS/c1-25-10-12-27(13-11-25)20-15(22)6-5-8-17(20)23-19(28)14-29-21-24-16-7-3-4-9-18(16)26(21)2/h3-9H,10-14H2,1-2H3,(H,23,28)/p+1