Basic information
- Standard SMILES
COc1ccc(C(=O)Nc2ccccc2)cc1NC(=S)Nc1ccc(S(N)(=O)=O)cc1- InChIKey
OQZACOIPWIDXLV-UHFFFAOYSA-N- Molecular formula
- C21H20N4O4S2
- Average molar mass
- 456.5 g/mol
Names & identifiers
- Preferred name
- 4-Methoxy-N-phenyl-3-[3-(4-sulfamoyl-phenyl)-thioureido]-benzamide
- IUPAC
- 4-methoxy-N-phenyl-3-[(4-sulfamoylphenyl)carbamothioylamino]benzamide
Names & synonyms
SCHEMBL6813650OQZACOIPWIDXLV-UHFFFAOYSA-N4-Methoxy-N-phenyl-3-[3-(4-sulfamoyl-phenyl)-thioureido]-benzamide
Database identifiers
- PubChem CID
- 9846872
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 163 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 713
Related reactions
3 records
Compound notes
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