oxolan-2-ylmethyl 2-[1-[2-(4-methoxyphenyl)ethanoylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: oxolan-2-ylmethyl 2-[1-[2-(4-methoxyphenyl)ethanoylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: tetrahydrofuran-2-ylmethyl 2-[1-[[2-(4-methoxyphenyl)acetyl]carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl 2-[1-[[2-(4-methoxyphenyl)acetyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[[2-(4-methoxyphenyl)acetyl]thiocarbamoyl]piperazin-2-yl]acetic acid tetrahydrofurfuryl ester Formula: C21H27N3O6S MolecularWeight: 449.52058

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCC3CCCO3

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCC3CCCO3

InChI

InChI=1S/C21H27N3O6S/c1-28-15-6-4-14(5-7-15)11-18(25)23-21(31)24-9-8-22-20(27)17(24)12-19(26)30-13-16-3-2-10-29-16/h4-7,16-17H,2-3,8-13H2,1H3,(H,22,27)(H,23,25,31)