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

Systemtic Name: oxolan-2-ylmethyl 2-[1-[(5-bromanylfuran-2-yl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: tetrahydrofuran-2-ylmethyl 2-[1-[(5-bromofuran-2-carbonyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(5-bromo-2-furanyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl 2-[1-[(5-bromofuran-2-carbonyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(5-bromo-2-furoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid tetrahydrofurfuryl ester Formula: C17H20BrN3O6S MolecularWeight: 474.3262

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)COC(=O)CC2C(=O)NCCN2C(=S)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

C1CC(OC1)COC(=O)CC2C(=O)NCCN2C(=S)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C17H20BrN3O6S/c18-13-4-3-12(27-13)16(24)20-17(28)21-6-5-19-15(23)11(21)8-14(22)26-9-10-2-1-7-25-10/h3-4,10-11H,1-2,5-9H2,(H,19,23)(H,20,24,28)