3,5-dimethyl-N-{[4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl}benzamide
Basic information
- CAS
4551-38-6- Standard SMILES
Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)cc2)c1- InChIKey
LTVVHYBNJNTVBA-UHFFFAOYSA-N- Molecular formula
- C22H27N3OS
- Average molar mass
- 381.5 g/mol
- Monoisotopic mass
- 381.18748367
Names & identifiers
- Preferred name
- 3,5-dimethyl-N-{[4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl}benzamide
- IUPAC
- 3,5-dimethyl-N-[[4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamide
Names & synonyms
4551-38-6ST508832363,5-dimethyl-N-{[4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl}benzamide3,5-dimethyl-N-({[4-(4-methyl-1-piperidinyl)phenyl]amino}carbonothioyl)benzamide3,5-dimethyl-N-[[4-(4-methylpiperidin-1-yl)phenyl]carbamothioyl]benzamideDTXSID90367134STK389164AKOS003234452(3,5-dimethylphenyl)-N-({[4-(4-methylpiperidyl)phenyl]amino}thioxomethyl)carbo xamide
Database identifiers
- CAS
4551-38-6- PubChem CID
- 2235809
- DTXSID
DTXSID90367134
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 500
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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