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

Systemtic Name: oxolan-2-ylmethyl 2-[1-[(4-methoxyphenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: tetrahydrofuran-2-ylmethyl 2-[1-[(4-methoxybenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(4-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl 2-[1-[(4-methoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-(p-anisoylthiocarbamoyl)piperazin-2-yl]acetic acid tetrahydrofurfuryl ester Formula: C20H25N3O6S MolecularWeight: 435.494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O6S/c1-27-14-6-4-13(5-7-14)18(25)22-20(30)23-9-8-21-19(26)16(23)11-17(24)29-12-15-3-2-10-28-15/h4-7,15-16H,2-3,8-12H2,1H3,(H,21,26)(H,22,25,30)