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

Systemtic Name: (phenylmethyl) 2-[3-oxidanylidene-1-(3-phenylpropanoylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: benzyl 2-[3-oxo-1-(3-phenylpropanoylcarbamothioyl)piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-oxo-1-(3-phenylpropanoylcarbamothioyl)piperazin-2-yl]acetate Traditional Name: 2-[1-(hydrocinnamoylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid benzyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCC2=CC=CC=C2)C(=S)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCC2=CC=CC=C2)C(=S)NC(=O)CCC3=CC=CC=C3

InChI

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