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

Systemtic Name: ethyl 1-[(5-bromanyl-2-phenethyloxy-phenyl)carbonylcarbamothioyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[(5-bromo-2-phenethyloxy-benzoyl)carbamothioyl]piperidine-4-carboxylate CAS Name: 1-[[[(5-bromo-2-phenethyloxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(5-bromo-2-phenethyloxybenzoyl)carbamothioyl]piperidine-4-carboxylate Traditional Name: 1-[(5-bromo-2-phenethyloxy-benzoyl)thiocarbamoyl]isonipecotic acid ethyl ester Formula: C24H27BrN2O4S MolecularWeight: 519.45118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C24H27BrN2O4S/c1-2-30-23(29)18-10-13-27(14-11-18)24(32)26-22(28)20-16-19(25)8-9-21(20)31-15-12-17-6-4-3-5-7-17/h3-9,16,18H,2,10-15H2,1H3,(H,26,28,32)