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

Systemtic Name: 3-phenylpropyl 2-[(2R)-3-oxidanylidene-1-(phenylcarbonylcarbamothioyl)piperazin-2-yl]ethanoate Openeye Name: 3-phenylpropyl 2-[(2R)-1-(benzoylcarbamothioyl)-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2R)-1-[benzamido(sulfanylidene)methyl]-3-oxo-2-piperazinyl]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[(2R)-1-(benzoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2R)-1-(benzoylthiocarbamoyl)-3-keto-piperazin-2-yl]acetic acid 3-phenylpropyl ester Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)OCCCC2=CC=CC=C2)C(=S)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN([C@@H](C(=O)N1)CC(=O)OCCCC2=CC=CC=C2)C(=S)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H25N3O4S/c27-20(30-15-7-10-17-8-3-1-4-9-17)16-19-22(29)24-13-14-26(19)23(31)25-21(28)18-11-5-2-6-12-18/h1-6,8-9,11-12,19H,7,10,13-16H2,(H,24,29)(H,25,28,31)/t19-/m1/s1