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

Systemtic Name: propyl 2-[(2S)-3-oxidanylidene-1-(phenylcarbonylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: propyl 2-[(2S)-1-(benzoylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[benzamido(sulfanylidene)methyl]-3-oxo-2-piperazinyl]acetic acid propyl ester IUPAC Name: propyl 2-[(2S)-1-(benzoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-(benzoylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid propyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S/c1-2-10-24-14(21)11-13-16(23)18-8-9-20(13)17(25)19-15(22)12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3,(H,18,23)(H,19,22,25)/t13-/m0/s1