oxolan-2-ylmethyl 2-[3-oxidanylidene-1-[(3-propan-2-yloxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate

Systemtic Name: oxolan-2-ylmethyl 2-[3-oxidanylidene-1-[(3-propan-2-yloxyphenyl)carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: tetrahydrofuran-2-ylmethyl 2-[1-[(3-isopropoxybenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-(3-propan-2-yloxyphenyl)methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl 2-[3-oxo-1-[(3-propan-2-yloxybenzoyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[1-[(3-isopropoxybenzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid tetrahydrofurfuryl ester Formula: C22H29N3O6S MolecularWeight: 463.54716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCC3CCCO3

Isomeric SMILES

CC(C)OC1=CC=CC(=C1)C(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCC3CCCO3

InChI

InChI=1S/C22H29N3O6S/c1-14(2)31-16-6-3-5-15(11-16)20(27)24-22(32)25-9-8-23-21(28)18(25)12-19(26)30-13-17-7-4-10-29-17/h3,5-6,11,14,17-18H,4,7-10,12-13H2,1-2H3,(H,23,28)(H,24,27,32)