O-(2-pyridin-2-ylethyl) N-(4-ethanoylphenyl)carbamothioate

Systemtic Name: O-(2-pyridin-2-ylethyl) N-(4-ethanoylphenyl)carbamothioate Openeye Name: O-[2-(2-pyridyl)ethyl] N-(4-acetylphenyl)carbamothioate CAS Name: N-(4-acetylphenyl)carbamothioic acid O-[2-(2-pyridinyl)ethyl] ester IUPAC Name: O-(2-pyridin-2-ylethyl) N-(4-acetylphenyl)carbamothioate Traditional Name: N-(4-acetylphenyl)thiocarbamic acid O-[2-(2-pyridyl)ethyl] ester Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=S)OCCC2=CC=CC=N2

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=S)OCCC2=CC=CC=N2

InChI

InChI=1S/C16H16N2O2S/c1-12(19)13-5-7-15(8-6-13)18-16(21)20-11-9-14-4-2-3-10-17-14/h2-8,10H,9,11H2,1H3,(H,18,21)