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

Systemtic Name: (phenylmethyl) 2-[3-oxidanylidene-1-(phenylcarbonylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: benzyl 2-[1-(benzoylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[benzamido(sulfanylidene)methyl]-3-oxo-2-piperazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[1-(benzoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-(benzoylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid benzyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c25-18(28-14-15-7-3-1-4-8-15)13-17-20(27)22-11-12-24(17)21(29)23-19(26)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,22,27)(H,23,26,29)