3-chloro-N-{[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}benzamide
Basic information
- CAS
347332-12-1- Standard SMILES
Cc1cc(C)c2oc(-c3cccc(NC(=S)NC(=O)c4cccc(Cl)c4)c3C)nc2c1- InChIKey
UJVDGZKOYKUBJR-UHFFFAOYSA-N- Molecular formula
- C24H20ClN3O2S
- Average molar mass
- 450 g/mol
- Monoisotopic mass
- 449.0964758
Names & identifiers
- Preferred name
- 3-chloro-N-{[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}benzamide
- IUPAC
- 3-chloro-N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]benzamide
Names & synonyms
347332-12-13-chloro-N-{[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl}benzamide3-Chloro-N-[[[3-(5,7-dimethyl-2-benzoxazolyl)-2-methylphenyl]amino]thioxomethyl]benzamide3-chloro-N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]benzamideOprea1_383087DTXSID201123358STK016984AKOS0032261243-chloro-N-({[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]amino}carbonothioyl)benzamide
Database identifiers
- CAS
347332-12-1- PubChem CID
- 2280587
- DTXSID
DTXSID201123358
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 99.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 665
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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