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

Systemtic Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]ethanamide Openeye Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]acetamide CAS Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[4-(4-prop-2-ynyl-1-piperazinyl)phenyl]acetamide IUPAC Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]-N-[4-(4-prop-2-ynylpiperazin-1-yl)phenyl]acetamide Traditional Name: 2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-N-[4-(4-propargylpiperazino)phenyl]acetamide Formula: C23H26N5OS+ MolecularWeight: 420.55044

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC#C

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=CC=C(C=C3)N4CCN(CC4)CC#C

InChI

InChI=1S/C23H25N5OS/c1-3-12-27-13-15-28(16-14-27)19-10-8-18(9-11-19)24-22(29)17-30-23-25-20-6-4-5-7-21(20)26(23)2/h1,4-11H,12-17H2,2H3,(H,24,29)/p+1