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

Systemtic Name: ethyl 1-[[3-bromanyl-4-(2-methoxyethoxy)phenyl]carbonylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[[3-bromo-4-(2-methoxyethoxy)benzoyl]carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[[3-bromo-4-(2-methoxyethoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[[3-bromo-4-(2-methoxyethoxy)benzoyl]carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[[3-bromo-4-(2-methoxyethoxy)benzoyl]thiocarbamoyl]isonipecotic acid ethyl ester Formula: C19H25BrN2O5S MolecularWeight: 473.3812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25BrN2O5S/c1-3-26-18(24)13-6-8-22(9-7-13)19(28)21-17(23)14-4-5-16(15(20)12-14)27-11-10-25-2/h4-5,12-13H,3,6-11H2,1-2H3,(H,21,23,28)