O-[4-bromanyl-2-(2-pyridin-4-ylethylcarbamoyl)phenyl] N,N-diethylcarbamothioate

Systemtic Name: O-[4-bromanyl-2-(2-pyridin-4-ylethylcarbamoyl)phenyl] N,N-diethylcarbamothioate Openeye Name: O-[4-bromo-2-[2-(4-pyridyl)ethylcarbamoyl]phenyl] N,N-diethylcarbamothioate CAS Name: N,N-diethylcarbamothioic acid O-[4-bromo-2-[oxo-(2-pyridin-4-ylethylamino)methyl]phenyl] ester IUPAC Name: O-[4-bromo-2-(2-pyridin-4-ylethylcarbamoyl)phenyl] N,N-diethylcarbamothioate Traditional Name: N,N-diethylthiocarbamic acid O-[4-bromo-2-[2-(4-pyridyl)ethylcarbamoyl]phenyl] ester Formula: C19H22BrN3O2S MolecularWeight: 436.36588

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)OC1=C(C=C(C=C1)Br)C(=O)NCCC2=CC=NC=C2

Isomeric SMILES

CCN(CC)C(=S)OC1=C(C=C(C=C1)Br)C(=O)NCCC2=CC=NC=C2

InChI

InChI=1S/C19H22BrN3O2S/c1-3-23(4-2)19(26)25-17-6-5-15(20)13-16(17)18(24)22-12-9-14-7-10-21-11-8-14/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,22,24)