Molecule ID: 93486

IUPAC Name: O-(3-tert-butylphenyl) N-(6-methoxypyridin-2-yl)-N-methylcarbamothioate

Description: The molecule is a monothiocarbamic ester that is carbamic acid in which the oxygen of the oxo group is replaced by sulfur, the hydrogens attached to the nitrogen are replaced by methyl and 6-methoxypyridin-2-yl groups, and the hydrogen of the hydroxy group is replaced by a p-tert-butylphenyl group. It has fungicidal and herbicidal activity and is used in paddy rice and turf production. It has a role as a sterol biosynthesis inhibitor, a herbicide and an antifungal agrochemical. It is a member of pyridines, an aromatic ether and a monothiocarbamic ester.

SMILES: COc1cccc(N(C)C(=S)Oc2cccc(C(C)(C)C)c2)n1

SELFIES: [C][O][C][=C][C][=C][C][Branch2][Ring1][N][N][Branch1][C][C][C][=Branch1][C][=S][O][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][=C][Ring1][#Branch2][=N][Ring2][Ring1][Branch1]

InChI: InChI=1S/C18H22N2O2S/c1-18(2,3)13-8-6-9-14(12-13)22-17(23)20(4)15-10-7-11-16(19-15)21-5/h6-12H,1-5H3

Molecular Properties:
- Polar Surface Area: 66.7 Ų
- LogP: 5.2