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

Systemtic Name: ethyl 1-[(3-bromanyl-4-propan-2-yloxy-phenyl)carbonylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(3-bromo-4-isopropoxy-benzoyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[(3-bromo-4-propan-2-yloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(3-bromo-4-propan-2-yloxybenzoyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(3-bromo-4-isopropoxy-benzoyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C19H25BrN2O4S MolecularWeight: 457.3818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25BrN2O4S/c1-4-25-18(24)13-7-9-22(10-8-13)19(27)21-17(23)14-5-6-16(15(20)11-14)26-12(2)3/h5-6,11-13H,4,7-10H2,1-3H3,(H,21,23,27)