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

Systemtic Name: (phenylmethyl) 3-[1-[2-(cyclohexen-1-yl)ethylcarbamothioyl]piperidin-4-yl]-2-oxidanylidene-1,3-oxazolidine-4-carboxylate Openeye Name: benzyl 3-[1-[2-(cyclohexen-1-yl)ethylcarbamothioyl]-4-piperidyl]-2-oxo-oxazolidine-4-carboxylate CAS Name: 3-[1-[[2-(1-cyclohexenyl)ethylamino]-sulfanylidenemethyl]-4-piperidinyl]-2-oxo-4-oxazolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[1-[2-(cyclohexen-1-yl)ethylcarbamothioyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate Traditional Name: 3-[1-[2-(cyclohexen-1-yl)ethylthiocarbamoyl]-4-piperidyl]-2-keto-oxazolidine-4-carboxylic acid benzyl ester Formula: C25H33N3O4S MolecularWeight: 471.61222

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=S)N2CCC(CC2)N3C(COC3=O)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(=CC1)CCNC(=S)N2CCC(CC2)N3C(COC3=O)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C25H33N3O4S/c29-23(31-17-20-9-5-2-6-10-20)22-18-32-25(30)28(22)21-12-15-27(16-13-21)24(33)26-14-11-19-7-3-1-4-8-19/h2,5-7,9-10,21-22H,1,3-4,8,11-18H2,(H,26,33)