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

Systemtic Name: butyl 2-[(2S)-3-oxidanylidene-1-(phenylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: butyl 2-[(2S)-3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[anilino(sulfanylidene)methyl]-3-oxo-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[(2S)-3-oxo-1-(phenylcarbamothioyl)piperazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-1-(phenylthiocarbamoyl)piperazin-2-yl]acetic acid butyl ester Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CC1C(=O)NCCN1C(=S)NC2=CC=CC=C2

Isomeric SMILES

CCCCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC2=CC=CC=C2

InChI

InChI=1S/C17H23N3O3S/c1-2-3-11-23-15(21)12-14-16(22)18-9-10-20(14)17(24)19-13-7-5-4-6-8-13/h4-8,14H,2-3,9-12H2,1H3,(H,18,22)(H,19,24)/t14-/m0/s1