propan-2-yl 2-[(2S)-3-oxidanylidene-1-(2-phenylethanoylcarbamothioyl)piperazin-2-yl]ethanoate

Systemtic Name: propan-2-yl 2-[(2S)-3-oxidanylidene-1-(2-phenylethanoylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: isopropyl 2-[(2S)-3-oxo-1-[(2-phenylacetyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[(2S)-3-oxo-1-[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(2S)-3-oxo-1-[(2-phenylacetyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-1-[(2-phenylacetyl)thiocarbamoyl]piperazin-2-yl]acetic acid isopropyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C18H23N3O4S/c1-12(2)25-16(23)11-14-17(24)19-8-9-21(14)18(26)20-15(22)10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,19,24)(H,20,22,26)/t14-/m0/s1