(phenylmethyl) 4-[4-(hydroxymethyl)-3-methyl-2-sulfanylidene-1H-imidazol-5-yl]piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[4-(hydroxymethyl)-3-methyl-2-sulfanylidene-1H-imidazol-5-yl]piperidine-1-carboxylate Openeye Name: benzyl 4-[4-(hydroxymethyl)-3-methyl-2-thioxo-1H-imidazol-5-yl]piperidine-1-carboxylate CAS Name: 4-[4-(hydroxymethyl)-3-methyl-2-sulfanylidene-1H-imidazol-5-yl]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[4-(hydroxymethyl)-3-methyl-2-sulfanylidene-1H-imidazol-5-yl]piperidine-1-carboxylate Traditional Name: 4-(1-methyl-5-methylol-2-thioxo-4-imidazolin-4-yl)piperidine-1-carboxylic acid benzyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(NC1=S)C2CCN(CC2)C(=O)OCC3=CC=CC=C3)CO

Isomeric SMILES

CN1C(=C(NC1=S)C2CCN(CC2)C(=O)OCC3=CC=CC=C3)CO

InChI

InChI=1S/C18H23N3O3S/c1-20-15(11-22)16(19-17(20)25)14-7-9-21(10-8-14)18(23)24-12-13-5-3-2-4-6-13/h2-6,14,22H,7-12H2,1H3,(H,19,25)