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

Systemtic Name: oxolan-2-ylmethyl 2-[3-oxidanylidene-1-(3-phenylpropanoylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: tetrahydrofuran-2-ylmethyl 2-[3-oxo-1-(3-phenylpropanoylcarbamothioyl)piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl 2-[3-oxo-1-(3-phenylpropanoylcarbamothioyl)piperazin-2-yl]acetate Traditional Name: 2-[1-(hydrocinnamoylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid tetrahydrofurfuryl ester Formula: C21H27N3O5S MolecularWeight: 433.52118

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC(=O)CC2C(=O)NCCN2C(=S)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CC(OC1)COC(=O)CC2C(=O)NCCN2C(=S)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O5S/c25-18(9-8-15-5-2-1-3-6-15)23-21(30)24-11-10-22-20(27)17(24)13-19(26)29-14-16-7-4-12-28-16/h1-3,5-6,16-17H,4,7-14H2,(H,22,27)(H,23,25,30)