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

Systemtic Name: propyl 2-[1-[(4-nitrophenyl)carbonylcarbamothioyl]-3-oxidanylidene-piperazin-2-yl]ethanoate Openeye Name: propyl 2-[1-[(4-nitrobenzoyl)carbamothioyl]-3-oxo-piperazin-2-yl]acetate CAS Name: 2-[1-[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-oxo-2-piperazinyl]acetic acid propyl ester IUPAC Name: propyl 2-[1-[(4-nitrobenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate Traditional Name: 2-[3-keto-1-[(4-nitrobenzoyl)thiocarbamoyl]piperazin-2-yl]acetic acid propyl ester Formula: C17H20N4O6S MolecularWeight: 408.4289

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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