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

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[4-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanyl-ethanamide Openeye Name: 2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[[4-(hydroxymethyl)-1-(phenylmethyl)-2-imidazolyl]thio]acetamide IUPAC Name: 2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[(1-benzyl-4-methylol-imidazol-2-yl)thio]-N-(3,4-dimethoxyphenyl)acetamide Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=CN2CC3=CC=CC=C3)CO)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=NC(=CN2CC3=CC=CC=C3)CO)OC

InChI

InChI=1S/C21H23N3O4S/c1-27-18-9-8-16(10-19(18)28-2)22-20(26)14-29-21-23-17(13-25)12-24(21)11-15-6-4-3-5-7-15/h3-10,12,25H,11,13-14H2,1-2H3,(H,22,26)