methyl 1-[(3-bromophenyl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(3-bromophenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(3-bromophenyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[(3-bromoanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(3-bromophenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(3-bromophenyl)thiocarbamoyl]isonipecotic acid methyl ester Formula: C14H17BrN2O2S MolecularWeight: 357.26598

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=S)NC2=CC(=CC=C2)Br

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=S)NC2=CC(=CC=C2)Br

InChI

InChI=1S/C14H17BrN2O2S/c1-19-13(18)10-5-7-17(8-6-10)14(20)16-12-4-2-3-11(15)9-12/h2-4,9-10H,5-8H2,1H3,(H,16,20)