Basic information
- CAS
69353-28-2- Standard SMILES
CC(C)COc1ccc(C(=S)NCCN2CCCC2)cc1- InChIKey
KWQZWNGATIUUFZ-UHFFFAOYSA-N- Molecular formula
- C17H26N2OS
- Average molar mass
- 306.5 g/mol
- Monoisotopic mass
- 306.17658463
Names & identifiers
- Preferred name
- Benzamide, p-isobutoxy-N-(2-pyrrolidinylethyl)thio-
- IUPAC
- 4-(2-methylpropoxy)-N-(2-pyrrolidin-1-ylethyl)benzenecarbothioamide
- English name
- p-Isobutoxy-N-[2-(1-pyrrolidinyl)ethyl]benzothioamide
- Molecular formula
- C17H26N2OS
- Molecular weight
- 306.47
Names & synonyms
BENZAMIDE, p-ISOBUTOXY-N-(2-PYRROLIDINYLETHYL)THIO-p-Isobutoxy-N-(2-pyrrolidinylethyl)thiobenzamide69353-28-2DTXSID50219428RefChem:322605DTXCID701419194-(2-methylpropoxy)-N-[2-(pyrrolidin-1-yl)ethyl]benzene-1-carbothioamidep-Isobutoxy-N-[2-(1-pyrrolidinyl)ethyl]benzothioamideBenzenecarbothioamide, 4-(2-methylpropoxy)-N-[2-(1-pyrrolidinyl)ethyl]-
Database identifiers
- CAS
69353-28-2- PubChem CID
- 3033461
- DTXSID
DTXSID50219428- Nikkaji
- J149.141E
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 56.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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