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

Systemtic Name: methyl 2-[(2S)-3-oxidanylidene-1-(3-phenylpropanoylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: methyl 2-[(2S)-3-oxo-1-(3-phenylpropanoylcarbamothioyl)piperazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-1-[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2S)-3-oxo-1-(3-phenylpropanoylcarbamothioyl)piperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-(hydrocinnamoylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid methyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C17H21N3O4S/c1-24-15(22)11-13-16(23)18-9-10-20(13)17(25)19-14(21)8-7-12-5-3-2-4-6-12/h2-6,13H,7-11H2,1H3,(H,18,23)(H,19,21,25)/t13-/m0/s1