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

Systemtic Name: (phenylmethyl) 2-[1-(ethanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: benzyl 2-[1-(acetylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[acetamido(sulfanylidene)methyl]-3-oxo-2-piperazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[1-(acetylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(acetylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid benzyl ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC(=S)N1CCNC(=O)C1CC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H19N3O4S/c1-11(20)18-16(24)19-8-7-17-15(22)13(19)9-14(21)23-10-12-5-3-2-4-6-12/h2-6,13H,7-10H2,1H3,(H,17,22)(H,18,20,24)