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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=S)NC2=CC=C(C=C2)Br

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=S)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C15H19BrN2O2S/c1-2-20-14(19)11-4-3-9-18(10-11)15(21)17-13-7-5-12(16)6-8-13/h5-8,11H,2-4,9-10H2,1H3,(H,17,21)