Molecule ID: 3032792

IUPAC Name: ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate

Description: The molecule is a member of the class of thioureas that is the diethyl ester of (1,2-phenylenedicarbamothioyl)biscarbamic acid. A fungicide effective against a broad spectrum of diseases in fruit, vegetables, turf and other crops including eyespot, scab, powdery mildew and grey mould. It has a role as an antifungal drug. It is a member of thioureas, a carbamate ester, a benzimidazole precursor fungicide and a carbamate fungicide. It derives from a 1,2-phenylenediamine.

SMILES: CCOC(O)=NC(S)=Nc1ccccc1N=C(S)N=C(O)OCC

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

InChI: InChI=1S/C14H18N4O4S2/c1-3-21-13(19)17-11(23)15-9-7-5-6-8-10(9)16-12(24)18-14(20)22-4-2/h5-8H,3-4H2,1-2H3,(H2,15,17,19,23)(H2,16,18,20,24)

Molecular Properties:
- Polar Surface Area: 165.0 Ų
- LogP: 3.3