(phenylmethyl) 2-[3-oxidanylidene-1-[[2-(2-phenoxyethoxy)phenyl]carbonylcarbamothioyl]piperazin-2-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[3-oxidanylidene-1-[[2-(2-phenoxyethoxy)phenyl]carbonylcarbamothioyl]piperazin-2-yl]ethanoate Openeye Name: benzyl 2-[3-oxo-1-[[2-(2-phenoxyethoxy)benzoyl]carbamothioyl]piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[[oxo-[2-(2-phenoxyethoxy)phenyl]methyl]amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[3-oxo-1-[[2-(2-phenoxyethoxy)benzoyl]carbamothioyl]piperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[[2-(2-phenoxyethoxy)benzoyl]thiocarbamoyl]piperazin-2-yl]acetic acid benzyl ester Formula: C29H29N3O6S MolecularWeight: 547.62206

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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)C3=CC=CC=C3OCCOC4=CC=CC=C4

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCC2=CC=CC=C2)C(=S)NC(=O)C3=CC=CC=C3OCCOC4=CC=CC=C4

InChI

InChI=1S/C29H29N3O6S/c33-26(38-20-21-9-3-1-4-10-21)19-24-28(35)30-15-16-32(24)29(39)31-27(34)23-13-7-8-14-25(23)37-18-17-36-22-11-5-2-6-12-22/h1-14,24H,15-20H2,(H,30,35)(H,31,34,39)