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

Systemtic Name: (phenylmethyl) 2-[1-[2-(4-chlorophenyl)ethanoylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: benzyl 2-[1-[[2-(4-chlorophenyl)acetyl]carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[2-(4-chlorophenyl)-1-oxoethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[1-[[2-(4-chlorophenyl)acetyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[1-[[2-(4-chlorophenyl)acetyl]thiocarbamoyl]-3-keto-piperazin-2-yl]acetic acid benzyl ester Formula: C22H22ClN3O4S MolecularWeight: 459.94578

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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)CC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCC2=CC=CC=C2)C(=S)NC(=O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H22ClN3O4S/c23-17-8-6-15(7-9-17)12-19(27)25-22(31)26-11-10-24-21(29)18(26)13-20(28)30-14-16-4-2-1-3-5-16/h1-9,18H,10-14H2,(H,24,29)(H,25,27,31)