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

Systemtic Name: (phenylmethyl) 2-[1-(2,2-diphenylethanoylcarbamothioyl)-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: benzyl 2-[1-[(2,2-diphenylacetyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[(1-oxo-2,2-diphenylethyl)amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[1-[(2,2-diphenylacetyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[(2,2-diphenylacetyl)thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid benzyl ester Formula: C28H27N3O4S MolecularWeight: 501.59668

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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)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCC2=CC=CC=C2)C(=S)NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H27N3O4S/c32-24(35-19-20-10-4-1-5-11-20)18-23-26(33)29-16-17-31(23)28(36)30-27(34)25(21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-15,23,25H,16-19H2,(H,29,33)(H,30,34,36)