ethyl 1-[(3-nitrophenyl)carbonylcarbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(3-nitrophenyl)carbonylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-nitrobenzoyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-nitrobenzoyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(3-nitrobenzoyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O5S/c1-2-24-15(21)11-6-8-18(9-7-11)16(25)17-14(20)12-4-3-5-13(10-12)19(22)23/h3-5,10-11H,2,6-9H2,1H3,(H,17,20,25)