N-(4-ethanoylphenyl)-2-[(3-phenethyl-1H-imidazol-3-ium-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-ethanoylphenyl)-2-[(3-phenethyl-1H-imidazol-3-ium-2-yl)sulfanyl]ethanamide Openeye Name: N-(4-acetylphenyl)-2-[(3-phenethyl-1H-imidazol-3-ium-2-yl)sulfanyl]acetamide CAS Name: N-(4-acetylphenyl)-2-[(3-phenethyl-1H-imidazol-3-ium-2-yl)thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-[(3-phenethyl-1H-imidazol-3-ium-2-yl)sulfanyl]acetamide Traditional Name: N-(4-acetylphenyl)-2-[(3-phenethyl-1H-imidazol-3-ium-2-yl)thio]acetamide Formula: C21H22N3O2S+ MolecularWeight: 380.48328

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=[N+](C=CN2)CCC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=[N+](C=CN2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2S/c1-16(25)18-7-9-19(10-8-18)23-20(26)15-27-21-22-12-14-24(21)13-11-17-5-3-2-4-6-17/h2-10,12,14H,11,13,15H2,1H3,(H,23,25,26)/p+1