(phenylmethyl) 2-[1-[2-(4-methoxyphenyl)ethanoylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[1-[2-(4-methoxyphenyl)ethanoylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: benzyl 2-[1-[[2-(4-methoxyphenyl)acetyl]carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[2-(4-methoxyphenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[1-[[2-(4-methoxyphenyl)acetyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[[2-(4-methoxyphenyl)acetyl]thiocarbamoyl]piperazin-2-yl]acetic acid benzyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NC(=S)N2CCNC(=O)C2CC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H25N3O5S/c1-30-18-9-7-16(8-10-18)13-20(27)25-23(32)26-12-11-24-22(29)19(26)14-21(28)31-15-17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3,(H,24,29)(H,25,27,32)