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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CN2C(=CNC2=S)CO)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1CN2C(=CNC2=S)CO)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H23N3O3S/c22-12-16-10-19-17(25)21(16)11-14-6-8-20(9-7-14)18(23)24-13-15-4-2-1-3-5-15/h1-5,10,14,22H,6-9,11-13H2,(H,19,25)