methyl 1-[(2-chloranyl-5-nitro-phenyl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(2-chloranyl-5-nitro-phenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(2-chloro-5-nitro-phenyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[(2-chloro-5-nitroanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2-chloro-5-nitrophenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(2-chloro-5-nitro-phenyl)thiocarbamoyl]isonipecotic acid methyl ester Formula: C14H16ClN3O4S MolecularWeight: 357.81254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN3O4S/c1-22-13(19)9-4-6-17(7-5-9)14(23)16-12-8-10(18(20)21)2-3-11(12)15/h2-3,8-9H,4-7H2,1H3,(H,16,23)