Basic information
- CAS
351004-57-4- Standard SMILES
COc1ccccc1C(=O)NC(NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl- InChIKey
NTIYOTDGFCVXQF-UHFFFAOYSA-N- Molecular formula
- C17H15Cl3N4O4S
- Average molar mass
- 477.7 g/mol
- Monoisotopic mass
- 475.987959
Names & identifiers
- Preferred name
- 2-Methoxy-N-(2,2,2-trichloro-1-(3-(4-nitro-phenyl)-thioureido)-ethyl)-benzamide
- IUPAC
- 2-methoxy-N-[2,2,2-trichloro-1-[(4-nitrophenyl)carbamothioylamino]ethyl]benzamide
- English name
- 2-Methoxy-N-(2,2,2-trichloro-1-(3-(4-nitro-phenyl)-thioureido)-ethyl)-benzamide
- Molecular weight
- 0
Names & synonyms
AKOS0244192982-METHOXY-N-(2,2,2-TRICHLORO-1-(3-(4-NITRO-PHENYL)-THIOUREIDO)-ETHYL)-BENZAMIDE
Database identifiers
- CAS
351004-57-4- PubChem CID
- 3638751
- EC Number
- 148-397-0
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 594
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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