propan-2-yl 2-[(2S)-1-[(3-nitrophenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate

Systemtic Name: propan-2-yl 2-[(2S)-1-[(3-nitrophenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: isopropyl 2-[(2S)-1-[(3-nitrobenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[(2S)-1-[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(2S)-1-[(3-nitrobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[(2S)-3-keto-1-[(3-nitrobenzoyl)thiocarbamoyl]piperazin-2-yl]acetic acid isopropyl ester Formula: C17H20N4O6S MolecularWeight: 408.4289

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H20N4O6S/c1-10(2)27-14(22)9-13-16(24)18-6-7-20(13)17(28)19-15(23)11-4-3-5-12(8-11)21(25)26/h3-5,8,10,13H,6-7,9H2,1-2H3,(H,18,24)(H,19,23,28)/t13-/m0/s1