ethyl 1-[(3,5-dinitrophenyl)carbonylcarbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(3,5-dinitrophenyl)carbonylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3,5-dinitrobenzoyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[(3,5-dinitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3,5-dinitrobenzoyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(3,5-dinitrobenzoyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C16H18N4O7S MolecularWeight: 410.40172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H18N4O7S/c1-2-27-15(22)10-3-5-18(6-4-10)16(28)17-14(21)11-7-12(19(23)24)9-13(8-11)20(25)26/h7-10H,2-6H2,1H3,(H,17,21,28)