phenethyl 2-[(2R)-1-[(4-nitrophenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: phenethyl 2-[(2R)-1-[(4-nitrophenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: phenethyl 2-[(2R)-1-[(4-nitrobenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2R)-1-[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid phenethyl ester IUPAC Name: phenethyl 2-[(2R)-1-[(4-nitrobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2R)-3-keto-1-[(4-nitrobenzoyl)thiocarbamoyl]piperazin-2-yl]acetic acid phenethyl ester Formula: C22H22N4O6S MolecularWeight: 470.49828

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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)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN([C@@H](C(=O)N1)CC(=O)OCCC2=CC=CC=C2)C(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O6S/c27-19(32-13-10-15-4-2-1-3-5-15)14-18-21(29)23-11-12-25(18)22(33)24-20(28)16-6-8-17(9-7-16)26(30)31/h1-9,18H,10-14H2,(H,23,29)(H,24,28,33)/t18-/m1/s1