Basic information
- CAS
79797-41-4- Standard SMILES
C=CCNC(=S)NNC(=O)CNC(c1ccc(OC)cc1)C(CC)c1ccc(OC)cc1- InChIKey
BJBPATUSHMMUKR-UHFFFAOYSA-N- Molecular formula
- C24H32N4O3S
- Average molar mass
- 456.6 g/mol
- Monoisotopic mass
- 456.21951207
Names & identifiers
- Preferred name
- 1-[[2-[1,2-Bis(4-methoxyphenyl)butylamino]acetyl]amino]-3-prop-2-enylthiourea
- IUPAC
- 1-[[2-[1,2-bis(4-methoxyphenyl)butylamino]acetyl]amino]-3-prop-2-enylthiourea
Names & synonyms
79797-41-4NSC303240DTXSID90398084NSC-3032402-({[1,2-Bis(4-methoxyphenyl)butyl]amino}acetyl)-N-(prop-2-en-1-yl)hydrazine-1-carbothioamide
Database identifiers
- CAS
79797-41-4- PubChem CID
- 3936660
- DTXSID
DTXSID90398084
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 576
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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