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

Systemtic Name: ethyl 1-[[5-bromanyl-2-(2-methylpropoxy)phenyl]carbonylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(5-bromo-2-isobutoxy-benzoyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[[5-bromo-2-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[5-bromo-2-(2-methylpropoxy)benzoyl]carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(5-bromo-2-isobutoxy-benzoyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C20H27BrN2O4S MolecularWeight: 471.40838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27BrN2O4S/c1-4-26-19(25)14-7-9-23(10-8-14)20(28)22-18(24)16-11-15(21)5-6-17(16)27-12-13(2)3/h5-6,11,13-14H,4,7-10,12H2,1-3H3,(H,22,24,28)