Basic information
- Standard SMILES
CCNC(=S)N1CC(C)(C)CSC1=NCCc1ccccc1OC- InChIKey
TWAYUTQAMRXBNB-UHFFFAOYSA-N- Molecular formula
- C18H27N3OS2
- Average molar mass
- 365.6 g/mol
Names & identifiers
- Preferred name
- 2-(2-methoxyphenethyl)imino-N-(ethylthiocarbamoyl)-5,5-dimethyl-1,3-thiazine
- IUPAC
- N-ethyl-2-[2-(2-methoxyphenyl)ethylimino]-5,5-dimethyl-1,3-thiazinane-3-carbothioamide
Names & synonyms
SCHEMBL4704146SCHEMBL4704150TWAYUTQAMRXBNB-UHFFFAOYSA-N2-(2-methoxyphenethyl)imino-N-(ethylthiocarbamoyl)-5,5-dimethyl-1,3-thiazine
Database identifiers
- PubChem CID
- 22639982
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 454
Related reactions
3 records
Compound notes
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