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

Systemtic Name: butan-2-yl 2-[1-[(5-bromanylfuran-2-yl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: sec-butyl 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 butan-2-yl ester IUPAC Name: butan-2-yl 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 sec-butyl ester Formula: C16H20BrN3O5S MolecularWeight: 446.3161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20BrN3O5S/c1-3-9(2)24-13(21)8-10-14(22)18-6-7-20(10)16(26)19-15(23)11-4-5-12(17)25-11/h4-5,9-10H,3,6-8H2,1-2H3,(H,18,22)(H,19,23,26)