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

Systemtic Name: (phenylmethyl) 2-[1-(furan-2-ylcarbonylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 2-[1-(furan-2-carbonylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(2-furoylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid benzyl ester Formula: C19H19N3O5S MolecularWeight: 401.43626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCC2=CC=CC=C2)C(=S)NC(=O)C3=CC=CO3

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCC2=CC=CC=C2)C(=S)NC(=O)C3=CC=CO3

InChI

InChI=1S/C19H19N3O5S/c23-16(27-12-13-5-2-1-3-6-13)11-14-17(24)20-8-9-22(14)19(28)21-18(25)15-7-4-10-26-15/h1-7,10,14H,8-9,11-12H2,(H,20,24)(H,21,25,28)