ethyl 1-[(4-bromanyl-3-methyl-phenyl)carbamothioyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[(4-bromanyl-3-methyl-phenyl)carbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(4-bromo-3-methyl-phenyl)carbamothioyl]piperidine-3-carboxylate CAS Name: 1-[(4-bromo-3-methylanilino)-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-bromo-3-methylphenyl)carbamothioyl]piperidine-3-carboxylate Traditional Name: 1-[(4-bromo-3-methyl-phenyl)thiocarbamoyl]nipecotic acid ethyl ester Formula: C16H21BrN2O2S MolecularWeight: 385.31914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=S)NC2=CC(=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=S)NC2=CC(=C(C=C2)Br)C

InChI

InChI=1S/C16H21BrN2O2S/c1-3-21-15(20)12-5-4-8-19(10-12)16(22)18-13-6-7-14(17)11(2)9-13/h6-7,9,12H,3-5,8,10H2,1-2H3,(H,18,22)