ethyl 4-[2-[4-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[4-(hydroxymethyl)-1-(phenylmethyl)imidazol-2-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[[4-(hydroxymethyl)-1-(phenylmethyl)-2-imidazolyl]thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[1-benzyl-4-(hydroxymethyl)imidazol-2-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(1-benzyl-4-methylol-imidazol-2-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=CN2CC3=CC=CC=C3)CO

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC(=CN2CC3=CC=CC=C3)CO

InChI

InChI=1S/C20H26N4O4S/c1-2-28-20(27)23-10-8-22(9-11-23)18(26)15-29-19-21-17(14-25)13-24(19)12-16-6-4-3-5-7-16/h3-7,13,25H,2,8-12,14-15H2,1H3