Basic information
- Standard SMILES
S=C(NCc1ccccc1)Nc1ccc(NC(=S)NCc2ccccc2)cc1- InChIKey
QVRITLZYKIESLA-UHFFFAOYSA-N- Molecular formula
- C22H22N4S2
- Average molar mass
- 406.6 g/mol
Names & identifiers
- Preferred name
- 1,4-Di(benzylthiocarbamoylamino)benzene
- IUPAC
- 1-benzyl-3-[4-(benzylcarbamothioylamino)phenyl]thiourea
Names & synonyms
SCHEMBL8612547QVRITLZYKIESLA-UHFFFAOYSA-N1,4-di(benzylthiocarbamoylamino)benzene
Database identifiers
- PubChem CID
- 19693305
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 435
Related reactions
1 records
Linked notes
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