Basic information
- Standard SMILES
CC(C)(C)c1ccc(CNC(=S)NCc2ccc(N)cc2)cc1- InChIKey
KQBKRCOJMIVAFW-UHFFFAOYSA-N- Molecular formula
- C19H25N3S
- Average molar mass
- 327.5 g/mol
Names & identifiers
- Preferred name
- 1-(4-Aminobenzyl)-3-(4-t-butylbenzyl)thiourea
- IUPAC
- 1-[(4-aminophenyl)methyl]-3-[(4-tert-butylphenyl)methyl]thiourea
Names & synonyms
CHEMBL165129SCHEMBL4891340KQBKRCOJMIVAFW-UHFFFAOYSA-NBDBM502237741-(4-aminobenzyl)-3-(4-t-butylbenzyl)thiourea
Database identifiers
- PubChem CID
- 44378740
- ChEMBL
CHEMBL165129
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 361
Related reactions
2 records
Compound notes
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