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

Systemtic Name: butyl 2-[(2S)-3-oxidanylidene-1-(3-phenylpropanoylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 2-[(2S)-3-oxo-1-(3-phenylpropanoylcarbamothioyl)piperazin-2-yl]acetate Traditional Name: 2-[(2S)-1-(hydrocinnamoylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid butyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O4S/c1-2-3-13-27-18(25)14-16-19(26)21-11-12-23(16)20(28)22-17(24)10-9-15-7-5-4-6-8-15/h4-8,16H,2-3,9-14H2,1H3,(H,21,26)(H,22,24,28)/t16-/m0/s1