Basic information
- CAS
650585-42-5- Standard SMILES
COc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1Br- InChIKey
DYQQZFCYUMZGIS-UHFFFAOYSA-N- Molecular formula
- C17H18BrN3O4S2
- Average molar mass
- 472.4 g/mol
Names & identifiers
- Preferred name
- 3-bromo-N-[({4-[(dimethylamino)sulfonyl]phenyl}amino)carbonothioyl]-4-methoxybenzamide
- IUPAC
- 3-bromo-N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-4-methoxybenzamide
- English name
- 3-bromo-N-[({4-[(dimethylamino)sulfonyl]phenyl}amino)carbonothioyl]-4-methoxybenzamide
- Molecular formula
- C17H18BrN3O4S2
- Molecular weight
- 472.38
Names & synonyms
3-bromo-N-[[4-(dimethylsulfamoyl)phenyl]carbamothioyl]-4-methoxybenzamide3-bromo-N-{[4-(dimethylsulfamoyl)phenyl]carbamothioyl}-4-methoxybenzamide3-bromo-N-[({4-[(dimethylamino)sulfonyl]phenyl}amino)carbonothioyl]-4-methoxybenzamideSTL062912AKOS000496678650585-42-5AN-329/422608354-({[(3-bromo-4-methoxybenzoyl)amino]carbothioyl}amino)-N,N-dimethylbenzenesulfonamideBenzamide, 3-bromo-N-[[[4-[(dimethylamino)sulfonyl]phenyl]amino]thioxomethyl]-4-methoxy-
Database identifiers
- CAS
650585-42-5
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 631
Chemistry & industry
Suppliers1 total
Alinda Chemical Ltd.+7 (495) 672-17-08 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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