ethyl 1-[(4-bromanyl-2-methyl-phenyl)carbamothioyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[(4-bromanyl-2-methyl-phenyl)carbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(4-bromo-2-methyl-phenyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[(4-bromo-2-methylanilino)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-bromo-2-methylphenyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(4-bromo-2-methyl-phenyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C16H21BrN2O2S MolecularWeight: 385.31914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC2=C(C=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC2=C(C=C(C=C2)Br)C

InChI

InChI=1S/C16H21BrN2O2S/c1-3-21-15(20)12-6-8-19(9-7-12)16(22)18-14-5-4-13(17)10-11(14)2/h4-5,10,12H,3,6-9H2,1-2H3,(H,18,22)