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

Systemtic Name: oxolan-2-ylmethyl 2-[1-[(5-bromanyl-2-methoxy-phenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: tetrahydrofuran-2-ylmethyl 2-[1-[(5-bromo-2-methoxy-benzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(5-bromo-2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid 2-oxolanylmethyl ester IUPAC Name: oxolan-2-ylmethyl 2-[1-[(5-bromo-2-methoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(5-bromo-2-methoxy-benzoyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid tetrahydrofurfuryl ester Formula: C20H24BrN3O6S MolecularWeight: 514.39006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrN3O6S/c1-28-16-5-4-12(21)9-14(16)18(26)23-20(31)24-7-6-22-19(27)15(24)10-17(25)30-11-13-3-2-8-29-13/h4-5,9,13,15H,2-3,6-8,10-11H2,1H3,(H,22,27)(H,23,26,31)