ethyl 1-[(5-bromanyl-2-chloranyl-phenyl)carbonylcarbamothioyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(5-bromanyl-2-chloranyl-phenyl)carbonylcarbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(5-bromo-2-chloro-benzoyl)carbamothioyl]piperidine-3-carboxylate CAS Name: 1-[[[(5-bromo-2-chlorophenyl)-oxomethyl]amino]-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-bromo-2-chlorobenzoyl)carbamothioyl]piperidine-3-carboxylate Traditional Name: 1-[(5-bromo-2-chloro-benzoyl)thiocarbamoyl]nipecotic acid ethyl ester Formula: C16H18BrClN2O3S MolecularWeight: 433.74772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrClN2O3S/c1-2-23-15(22)10-4-3-7-20(9-10)16(24)19-14(21)12-8-11(17)5-6-13(12)18/h5-6,8,10H,2-4,7,9H2,1H3,(H,19,21,24)