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

Systemtic Name: phenethyl 2-[(2R)-3-oxidanylidene-1-(2-phenylethanoylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 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 phenethyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCCC2=CC=CC=C2)C(=S)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN([C@@H](C(=O)N1)CC(=O)OCCC2=CC=CC=C2)C(=S)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C23H25N3O4S/c27-20(15-18-9-5-2-6-10-18)25-23(31)26-13-12-24-22(29)19(26)16-21(28)30-14-11-17-7-3-1-4-8-17/h1-10,19H,11-16H2,(H,24,29)(H,25,27,31)/t19-/m1/s1