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

Systemtic Name: methyl 1-[(4-nitrophenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(4-nitrophenyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[(4-nitroanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4-nitrophenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(4-nitrophenyl)thiocarbamoyl]isonipecotic acid methyl ester Formula: C14H17N3O4S MolecularWeight: 323.36748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O4S/c1-21-13(18)10-6-8-16(9-7-10)14(22)15-11-2-4-12(5-3-11)17(19)20/h2-5,10H,6-9H2,1H3,(H,15,22)