oxolan-2-ylmethyl 2-[3-oxidanylidene-1-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate

Systemtic Name: oxolan-2-ylmethyl 2-[3-oxidanylidene-1-[(3,4,5-trimethoxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: tetrahydrofuran-2-ylmethyl 2-[3-oxo-1-[(3,4,5-trimethoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(3,4,5-trimethoxyphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl 2-[3-oxo-1-[(3,4,5-trimethoxybenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(3,4,5-trimethoxybenzoyl)thiocarbamoyl]piperazin-2-yl]acetic acid tetrahydrofurfuryl ester Formula: C22H29N3O8S MolecularWeight: 495.54596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCC3CCCO3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCC3CCCO3

InChI

InChI=1S/C22H29N3O8S/c1-29-16-9-13(10-17(30-2)19(16)31-3)20(27)24-22(34)25-7-6-23-21(28)15(25)11-18(26)33-12-14-5-4-8-32-14/h9-10,14-15H,4-8,11-12H2,1-3H3,(H,23,28)(H,24,27,34)