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

Systemtic Name: methyl 2-[3-oxidanylidene-1-(2-phenylethanoylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: methyl 2-[3-oxo-1-[(2-phenylacetyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-oxo-1-[(2-phenylacetyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(2-phenylacetyl)thiocarbamoyl]piperazin-2-yl]acetic acid methyl ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CC2=CC=CC=C2

InChI

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