ethyl 1-[(5-bromanyl-2-ethoxy-phenyl)carbonylcarbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(5-bromanyl-2-ethoxy-phenyl)carbonylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(5-bromo-2-ethoxy-benzoyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[(5-bromo-2-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-bromo-2-ethoxybenzoyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(5-bromo-2-ethoxy-benzoyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C18H23BrN2O4S MolecularWeight: 443.35522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)N2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C18H23BrN2O4S/c1-3-24-15-6-5-13(19)11-14(15)16(22)20-18(26)21-9-7-12(8-10-21)17(23)25-4-2/h5-6,11-12H,3-4,7-10H2,1-2H3,(H,20,22,26)