ethyl 1-[(4-nitrophenyl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(4-nitrophenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-nitrophenyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[(4-nitroanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-nitrophenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(4-nitrophenyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O4S/c1-2-22-14(19)11-7-9-17(10-8-11)15(23)16-12-3-5-13(6-4-12)18(20)21/h3-6,11H,2,7-10H2,1H3,(H,16,23)