N-(2-ethylphenyl)-2-[4-[2-(1-methylbenzimidazol-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[2-(1-methylbenzimidazol-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[2-[(1-methyl-2-benzimidazolyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[2-[(1-methylbenzimidazol-2-yl)thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C24H30N5O2S+ MolecularWeight: 452.5923

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N3C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4N3C

InChI

InChI=1S/C24H29N5O2S/c1-3-18-8-4-5-9-19(18)25-22(30)16-28-12-14-29(15-13-28)23(31)17-32-24-26-20-10-6-7-11-21(20)27(24)2/h4-11H,3,12-17H2,1-2H3,(H,25,30)/p+1