N-(3-acetamidophenyl)-2-[4-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-acetamidophenyl)-2-[4-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-acetamidophenyl)-2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(3-acetamidophenyl)-2-[[4-(hydroxymethyl)-1-(phenylmethyl)-2-imidazolyl]thio]acetamide IUPAC Name: N-(3-acetamidophenyl)-2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanylacetamide Traditional Name: N-(3-acetamidophenyl)-2-[(1-benzyl-4-methylol-imidazol-2-yl)thio]acetamide Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NC(=CN2CC3=CC=CC=C3)CO

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NC(=CN2CC3=CC=CC=C3)CO

InChI

InChI=1S/C21H22N4O3S/c1-15(27)22-17-8-5-9-18(10-17)23-20(28)14-29-21-24-19(13-26)12-25(21)11-16-6-3-2-4-7-16/h2-10,12,26H,11,13-14H2,1H3,(H,22,27)(H,23,28)