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

Systemtic Name: methyl 2-[3-oxidanylidene-1-(phenylcarbonylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: methyl 2-[1-(benzoylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[benzamido(sulfanylidene)methyl]-3-oxo-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[1-(benzoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(benzoylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O4S/c1-22-12(19)9-11-14(21)16-7-8-18(11)15(23)17-13(20)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,16,21)(H,17,20,23)