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

Systemtic Name: butyl 2-[(2S)-3-oxidanylidene-1-(phenylcarbonylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: butyl 2-[(2S)-1-(benzoylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[benzamido(sulfanylidene)methyl]-3-oxo-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[(2S)-1-(benzoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-(benzoylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid butyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4S/c1-2-3-11-25-15(22)12-14-17(24)19-9-10-21(14)18(26)20-16(23)13-7-5-4-6-8-13/h4-8,14H,2-3,9-12H2,1H3,(H,19,24)(H,20,23,26)/t14-/m0/s1