(phenylmethyl) 2-oxidanylidene-3-[1-(pyridin-3-ylcarbamothioyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate

Systemtic Name: (phenylmethyl) 2-oxidanylidene-3-[1-(pyridin-3-ylcarbamothioyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate Openeye Name: benzyl 2-oxo-3-[1-(3-pyridylcarbamothioyl)-4-piperidyl]oxazolidine-4-carboxylate CAS Name: 2-oxo-3-[1-[(3-pyridinylamino)-sulfanylidenemethyl]-4-piperidinyl]-4-oxazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-oxo-3-[1-(pyridin-3-ylcarbamothioyl)piperidin-4-yl]-1,3-oxazolidine-4-carboxylate Traditional Name: 2-keto-3-[1-(3-pyridylthiocarbamoyl)-4-piperidyl]oxazolidine-4-carboxylic acid benzyl ester Formula: C22H24N4O4S MolecularWeight: 440.51536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C(COC2=O)C(=O)OCC3=CC=CC=C3)C(=S)NC4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1N2C(COC2=O)C(=O)OCC3=CC=CC=C3)C(=S)NC4=CN=CC=C4

InChI

InChI=1S/C22H24N4O4S/c27-20(29-14-16-5-2-1-3-6-16)19-15-30-22(28)26(19)18-8-11-25(12-9-18)21(31)24-17-7-4-10-23-13-17/h1-7,10,13,18-19H,8-9,11-12,14-15H2,(H,24,31)