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

Systemtic Name: propyl 2-[1-[(5-bromanylfuran-2-yl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C15H18BrN3O5S MolecularWeight: 432.28952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18BrN3O5S/c1-2-7-23-12(20)8-9-13(21)17-5-6-19(9)15(25)18-14(22)10-3-4-11(16)24-10/h3-4,9H,2,5-8H2,1H3,(H,17,21)(H,18,22,25)