phenethyl 2-[3-oxidanylidene-1-(3-phenylpropanoylcarbamothioyl)piperazin-2-yl]ethanoate

Systemtic Name: phenethyl 2-[3-oxidanylidene-1-(3-phenylpropanoylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: phenethyl 2-[3-oxo-1-(3-phenylpropanoylcarbamothioyl)piperazin-2-yl]acetate CAS Name: 2-[3-oxo-1-[[(1-oxo-3-phenylpropyl)amino]-sulfanylidenemethyl]-2-piperazinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[3-oxo-1-(3-phenylpropanoylcarbamothioyl)piperazin-2-yl]acetate Traditional Name: 2-[1-(hydrocinnamoylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid phenethyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCCC2=CC=CC=C2)C(=S)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)OCCC2=CC=CC=C2)C(=S)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C24H27N3O4S/c28-21(12-11-18-7-3-1-4-8-18)26-24(32)27-15-14-25-23(30)20(27)17-22(29)31-16-13-19-9-5-2-6-10-19/h1-10,20H,11-17H2,(H,25,30)(H,26,28,32)