Molecule ID: 138388115

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

Description: The molecule is a sulfoxide resulting from the oxidation of the thiourea sulfur group of diafenthiuron. It has a role as a proacaricide, a proinsecticide and an oxidative phosphorylation inhibitor. It is a thiourea acaricide, a thiourea insecticide, an aromatic ether and a sulfoxide. It derives from a diafenthiuron.

SMILES: CC(C)c1cc(Oc2ccccc2)cc(C(C)C)c1NC(NC(C)(C)C)=S=O

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][#Branch2][N][C][Branch1][C][C][Branch1][C][C][C][=S][=O]

InChI: InChI=1S/C23H32N2O2S/c1-15(2)19-13-18(27-17-11-9-8-10-12-17)14-20(16(3)4)21(19)24-22(28-26)25-23(5,6)7/h8-16,24-25H,1-7H3

Molecular Properties:
- Polar Surface Area: 51.4 Ų
- LogP: 6.8