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

Systemtic Name: (phenylmethyl) 2-[3-oxidanylidene-1-(2-phenylethanoylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: benzyl 2-[3-oxo-1-[(2-phenylacetyl)carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[(1-oxo-2-phenylethyl)amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-oxo-1-[(2-phenylacetyl)carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(2-phenylacetyl)thiocarbamoyl]piperazin-2-yl]acetic acid benzyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCC2=CC=CC=C2)C(=S)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCC2=CC=CC=C2)C(=S)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4S/c26-19(13-16-7-3-1-4-8-16)24-22(30)25-12-11-23-21(28)18(25)14-20(27)29-15-17-9-5-2-6-10-17/h1-10,18H,11-15H2,(H,23,28)(H,24,26,30)