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

Systemtic Name: methyl 2-[1-[(5-bromanylfuran-2-yl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C13H14BrN3O5S MolecularWeight: 404.23636

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(O2)Br

Isomeric SMILES

COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=C(O2)Br

InChI

InChI=1S/C13H14BrN3O5S/c1-21-10(18)6-7-11(19)15-4-5-17(7)13(23)16-12(20)8-2-3-9(14)22-8/h2-3,7H,4-6H2,1H3,(H,15,19)(H,16,20,23)