N-(2-ethylphenyl)-2-[4-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[2-[(1-methyl-5-phenyl-2-imidazolyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[2-(1-methyl-5-phenylimidazol-2-yl)sulfanylacetyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[2-[(1-methyl-5-phenyl-imidazol-2-yl)thio]acetyl]piperazin-1-ium-1-yl]acetamide Formula: C26H32N5O2S+ MolecularWeight: 478.62958

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=NC=C(N3C)C4=CC=CC=C4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=NC=C(N3C)C4=CC=CC=C4

InChI

InChI=1S/C26H31N5O2S/c1-3-20-9-7-8-12-22(20)28-24(32)18-30-13-15-31(16-14-30)25(33)19-34-26-27-17-23(29(26)2)21-10-5-4-6-11-21/h4-12,17H,3,13-16,18-19H2,1-2H3,(H,28,32)/p+1