O-(pyridin-2-ylmethyl) N-phenyl-N-(3,4,5-trimethoxyphenyl)carbonyl-carbamothioate

Systemtic Name: O-(pyridin-2-ylmethyl) N-phenyl-N-(3,4,5-trimethoxyphenyl)carbonyl-carbamothioate Openeye Name: O-(2-pyridylmethyl) N-phenyl-N-(3,4,5-trimethoxybenzoyl)carbamothioate CAS Name: N-[oxo-(3,4,5-trimethoxyphenyl)methyl]-N-phenylcarbamothioic acid O-(2-pyridinylmethyl) ester IUPAC Name: O-(pyridin-2-ylmethyl) N-phenyl-N-(3,4,5-trimethoxybenzoyl)carbamothioate Traditional Name: N-phenyl-N-(3,4,5-trimethoxybenzoyl)thiocarbamic acid O-(2-pyridylmethyl) ester Formula: C23H22N2O5S MolecularWeight: 438.49618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)N(C2=CC=CC=C2)C(=S)OCC3=CC=CC=N3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)N(C2=CC=CC=C2)C(=S)OCC3=CC=CC=N3

InChI

InChI=1S/C23H22N2O5S/c1-27-19-13-16(14-20(28-2)21(19)29-3)22(26)25(18-10-5-4-6-11-18)23(31)30-15-17-9-7-8-12-24-17/h4-14H,15H2,1-3H3