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

Systemtic Name: ethyl 1-[(5-bromanyl-2-methoxy-phenyl)carbonylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(5-bromo-2-methoxy-benzoyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[(5-bromo-2-methoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-bromo-2-methoxybenzoyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(5-bromo-2-methoxy-benzoyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C17H21BrN2O4S MolecularWeight: 429.32864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21BrN2O4S/c1-3-24-16(22)11-6-8-20(9-7-11)17(25)19-15(21)13-10-12(18)4-5-14(13)23-2/h4-5,10-11H,3,6-9H2,1-2H3,(H,19,21,25)