3-phenylpropyl 2-[(2R)-3-oxidanylidene-1-(2-phenylethanoylcarbamothioyl)piperazin-2-yl]ethanoate

Systemtic Name: 3-phenylpropyl 2-[(2R)-3-oxidanylidene-1-(2-phenylethanoylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[(2R)-3-oxo-1-[(2-phenylacetyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[(2R)-3-oxo-1-[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[(2R)-3-oxo-1-[(2-phenylacetyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[(2R)-3-keto-1-[(2-phenylacetyl)thiocarbamoyl]piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCCCC2=CC=CC=C2)C(=S)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN([C@@H](C(=O)N1)CC(=O)OCCCC2=CC=CC=C2)C(=S)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O4S/c28-21(16-19-10-5-2-6-11-19)26-24(32)27-14-13-25-23(30)20(27)17-22(29)31-15-7-12-18-8-3-1-4-9-18/h1-6,8-11,20H,7,12-17H2,(H,25,30)(H,26,28,32)/t20-/m1/s1