3,4,5-trimethoxy-N-[(2-nitrophenyl)carbamothioyl]benzamide
Basic information
- CAS
74717-17-2- Standard SMILES
COc1cc(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])cc(OC)c1OC- InChIKey
YQFSMKLOBQNDOK-UHFFFAOYSA-N- Molecular formula
- C17H17N3O6S
- Average molar mass
- 391.4 g/mol
- Monoisotopic mass
- 391.08380644
Names & identifiers
- Preferred name
- 3,4,5-trimethoxy-N-[(2-nitrophenyl)carbamothioyl]benzamide
- IUPAC
- 3,4,5-trimethoxy-N-[(2-nitrophenyl)carbamothioyl]benzamide
Names & synonyms
74717-17-23,4,5-trimethoxy-N-[(2-nitrophenyl)carbamothioyl]benzamideZINC4834508Benzamide, 3,4,5-trimethoxy-N-[[(2-nitrophenyl)amino]thioxomethyl]-3,4,5-trimethoxy-N-{[(2-nitrophenyl)amino]carbonothioyl}benzamide3,4,5-Trimethoxy-N-((2-nitrophenyl)carbamothioyl)benzamideZINC04834508MLS000666076CHEMBL1368746DTXSID20387603HMS2600E24MFCD02625132
Show more names
STK062213AKOS003224952SMR000268995ZINC000004834508SR-01000233390SR-01000233390-1345TRIMETHOXYN((2NITROPHENYL)CARBAMOTHIOYL)BENZAMIDECOc1cc(cc(c1OC)OC)C(=O)NC(=S)Nc1ccccc1(N+)(=O)(O)
Database identifiers
- CAS
74717-17-2- PubChem CID
- 2896473
- DTXSID
DTXSID20387603- ChEMBL
CHEMBL1368746
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 529
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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