ethyl 1-[[3-bromanyl-4-(2-methylpropoxy)phenyl]carbonylcarbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[[3-bromanyl-4-(2-methylpropoxy)phenyl]carbonylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-bromo-4-isobutoxy-benzoyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[[3-bromo-4-(2-methylpropoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-bromo-4-(2-methylpropoxy)benzoyl]carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(3-bromo-4-isobutoxy-benzoyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C20H27BrN2O4S MolecularWeight: 471.40838

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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