Molecule ID: 3034380

IUPAC Name: 1-tert-butyl-3-[4-phenoxy-2,6-di(propan-2-yl)phenyl]thiourea

Description: The molecule is an aromatic ether that is 1,3-diisopropyl-5-phenoxybenzene in which the hydrogen atom at position 2 is substituted by a (tert-butylcarbamothioyl)nitrilo group. An agricultural proinsecticide which is used to control mites, aphids and whitefly in cotton. It has a role as an oxidative phosphorylation inhibitor and a proinsecticide. It is a thiourea acaricide, a thiourea insecticide and an aromatic ether. It derives from a diphenyl ether.

SMILES: CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1N=C(S)NC(C)(C)C

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

InChI: InChI=1S/C23H32N2OS/c1-15(2)19-13-18(26-17-11-9-8-10-12-17)14-20(16(3)4)21(19)24-22(27)25-23(5,6)7/h8-16H,1-7H3,(H2,24,25,27)

Molecular Properties:
- Polar Surface Area: 65.4 Ų
- LogP: 6.0