Basic information
- Standard SMILES
CC(C)C(=NSN(C)C(=O)Oc1cccc2c1OC(C)(C)C2)Sc1ccccc1- InChIKey
HOMKDMIYGLTTGO-UHFFFAOYSA-N- Molecular formula
- C22H26N2O3S2
- Average molar mass
- 430.6 g/mol
Names & identifiers
- Preferred name
- phenyl N-[[methyl[[[2,3-dihydro-2,2-dimethyl-7-benzofuranyl]oxy]carbonyl]amino]thio]-2-methyl-propiothioimidate
- IUPAC
- phenyl N-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanyl-2-methylpropanimidothioate
Names & synonyms
SCHEMBL10841608HOMKDMIYGLTTGO-UHFFFAOYSA-Nphenyl N-[[methyl[[[2,3-dihydro-2,2-dimethyl-7- benzofuranyl]oxy]carbonyl]amino]thio]-2-methyl-propiothioimidatephenyl N-[[methyl[[[2,3-dihydro-2,2-dimethyl-7-benzofuranyl]oxy]carbonyl]amino]thio]-2-methyl-propiothioimidate
Database identifiers
- PubChem CID
- 53887993
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 591
Related reactions
3 records
Linked notes
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