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

Systemtic Name: ethyl 1-[(4-bromanyl-3-chloranyl-phenyl)carbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[(4-bromo-3-chloro-phenyl)carbamothioyl]piperidine-3-carboxylate CAS Name: 1-[(4-bromo-3-chloroanilino)-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-bromo-3-chlorophenyl)carbamothioyl]piperidine-3-carboxylate Traditional Name: 1-[(4-bromo-3-chloro-phenyl)thiocarbamoyl]nipecotic acid ethyl ester Formula: C15H18BrClN2O2S MolecularWeight: 405.73762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18BrClN2O2S/c1-2-21-14(20)10-4-3-7-19(9-10)15(22)18-11-5-6-12(16)13(17)8-11/h5-6,8,10H,2-4,7,9H2,1H3,(H,18,22)