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

Systemtic Name: ethyl 1-[(3-bromophenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-bromophenyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[(3-bromoanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-bromophenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(3-bromophenyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C15H19BrN2O2S MolecularWeight: 371.29256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19BrN2O2S/c1-2-20-14(19)11-6-8-18(9-7-11)15(21)17-13-5-3-4-12(16)10-13/h3-5,10-11H,2,6-9H2,1H3,(H,17,21)