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Basic information
- Standard SMILES
CCOC(=O)NC(=S)Nc1cc(NC(=O)OC)ccc1NC(=O)CN(C)C.Cl- InChIKey
RWPBEUXGMUCTGI-UHFFFAOYSA-N- Molecular formula
- C16H24ClN5O5S
- Average molar mass
- 433.9 g/mol
- Monoisotopic mass
- 433.1186678
Names & identifiers
- Preferred name
- 1-Ethoxycarbonyl-3-(2-dimethylaminoacetamido-5-methoxycarbonylaminophenyl)thiourea hydrochloride
- IUPAC
- methyl N-[4-[[2-(dimethylamino)acetyl]amino]-3-(ethoxycarbonylcarbamothioylamino)phenyl]carbamate;hydrochloride
Names & synonyms
RWPBEUXGMUCTGI-UHFFFAOYSA-N1-ethoxycarbonyl-3-(2-dimethylaminoacetamido-5-methoxycarbonylaminophenyl)thiourea hydrochloride
Database identifiers
- PubChem CID
- 21483064
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 153 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 545
Related reactions
1 records
Compound notes
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