oxolan-2-ylmethyl 2-[3-oxidanylidene-1-(2-phenylethanoylcarbamothioyl)piperazin-2-yl]ethanoate

Systemtic Name: oxolan-2-ylmethyl 2-[3-oxidanylidene-1-(2-phenylethanoylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: tetrahydrofuran-2-ylmethyl 2-[3-oxo-1-[(2-phenylacetyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl 2-[3-oxo-1-[(2-phenylacetyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(2-phenylacetyl)thiocarbamoyl]piperazin-2-yl]acetic acid tetrahydrofurfuryl ester Formula: C20H25N3O5S MolecularWeight: 419.4946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC(=O)CC2C(=O)NCCN2C(=S)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CC(OC1)COC(=O)CC2C(=O)NCCN2C(=S)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O5S/c24-17(11-14-5-2-1-3-6-14)22-20(29)23-9-8-21-19(26)16(23)12-18(25)28-13-15-7-4-10-27-15/h1-3,5-6,15-16H,4,7-13H2,(H,21,26)(H,22,24,29)