tert-Butyl 3-(3-benzoylthioureido)propylcarbamate
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCCCNC(=S)NC(=O)c1ccccc1- InChIKey
WLDDGNNOSXNBRD-UHFFFAOYSA-N- Molecular formula
- C16H23N3O3S
- Average molar mass
- 337.4 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 3-(3-benzoylthioureido)propylcarbamate
- IUPAC
- tert-butyl N-[3-(benzoylcarbamothioylamino)propyl]carbamate
Names & synonyms
SCHEMBL9251648WLDDGNNOSXNBRD-UHFFFAOYSA-NDB-084591tert-Butyl 3-(3-benzoylthioureido)propylcarbamatetert-Butyl(3-(3-benzoylthioureido)propyl)carbamatetert-butyl (3-(3-benzoylthioureido)propyl)carbamate118708-36-4
Database identifiers
- PubChem CID
- 14280415
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 415
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Related reactions
3 records
Compound notes
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