methyl 2-[1-(furan-2-ylcarbonylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: methyl 2-[1-(furan-2-ylcarbonylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-(furan-2-carbonylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[2-furanyl(oxo)methyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(furan-2-carbonylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(2-furoylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C13H15N3O5S MolecularWeight: 325.3403

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CO2

Isomeric SMILES

COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC=CO2

InChI

InChI=1S/C13H15N3O5S/c1-20-10(17)7-8-11(18)14-4-5-16(8)13(22)15-12(19)9-3-2-6-21-9/h2-3,6,8H,4-5,7H2,1H3,(H,14,18)(H,15,19,22)