Basic information
- CAS
335214-66-9- Standard SMILES
COc1ccc(C(=O)NC(=S)Nc2ccc(Cc3ccncc3)cc2)cc1Br- InChIKey
FWAJRCJXMFXELP-UHFFFAOYSA-N- Molecular formula
- C21H18BrN3O2S
- Average molar mass
- 456.4 g/mol
- Monoisotopic mass
- 455.03031
Names & identifiers
- Preferred name
- 3-bromo-4-methoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide
- IUPAC
- 3-bromo-4-methoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide
- English name
- 3-bromo-4-methoxy-N-{[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl}benzamide
- Molecular formula
- C21H18BrN3O2S
- Molecular weight
- 456.36
Names & synonyms
335214-66-93-bromo-4-methoxy-N-[[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl]benzamide3-bromo-4-methoxy-N-{[4-(pyridin-4-ylmethyl)phenyl]carbamothioyl}benzamide3-bromo-4-methoxy-N-((4-(pyridin-4-ylmethyl)phenyl)carbamothioyl)benzamideSTK073366AKOS000469903AG-690/15430238SR-01000464417SR-01000464417-1N-(3-bromo-4-methoxybenzoyl)-N'-[4-(4-pyridinylmethyl)phenyl]thiourea3-bromo-4-methoxy-N-({[4-(pyridin-4-ylmethyl)phenyl]amino}carbonothioyl)benzamide3-bromo-4-methoxy-N-({4-[(pyridin-4-yl)methyl]phenyl}carbamothioyl)benzamide
Show more names
Benzamide, 3-bromo-4-methoxy-N-[[[4-(4-pyridinylmethyl)phenyl]amino]thioxomethyl]-
Database identifiers
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 95.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 522
Chemistry & industry
Suppliers4 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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