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

Systemtic Name: butyl 2-[(2S)-3-oxidanylidene-1-(propanoylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: butyl 2-[(2S)-3-oxo-1-(propanoylcarbamothioyl)piperazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-1-[(1-oxopropylamino)-sulfanylidenemethyl]-2-piperazinyl]acetic acid butyl ester IUPAC Name: butyl 2-[(2S)-3-oxo-1-(propanoylcarbamothioyl)piperazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-1-(propionylthiocarbamoyl)piperazin-2-yl]acetic acid butyl ester Formula: C14H23N3O4S MolecularWeight: 329.41512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H23N3O4S/c1-3-5-8-21-12(19)9-10-13(20)15-6-7-17(10)14(22)16-11(18)4-2/h10H,3-9H2,1-2H3,(H,15,20)(H,16,18,22)/t10-/m0/s1