N-{[(3-Methoxyphenyl)imino](sulfanyl)methyl}benzenecarboximidic acid
Basic information
- CAS
21258-09-3- Standard SMILES
COc1cccc(NC(=S)NC(=O)c2ccccc2)c1- InChIKey
IGLCIYHMAOZULA-UHFFFAOYSA-N- Molecular formula
- C15H14N2O2S
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.07759887
Names & identifiers
- Preferred name
- N-{[(3-Methoxyphenyl)imino](sulfanyl)methyl}benzenecarboximidic acid
- IUPAC
- N-[(3-methoxyphenyl)carbamothioyl]benzamide
Names & synonyms
CHEMBL308755421258-09-3NSC201748Maybridge1_006077Oprea1_059191SCHEMBL24769827HMS558M05DTXSID10943676BDBM50443488N-{[(3-Methoxyphenyl)imino](sulfanyl)methyl}benzenecarboximidic acidAKOS003422970NSC-201748
Show more names
DS-009815BENZAMIDE,N-[[(3-METHOXYPHENYL)AMINO]THIOXOMETHYL]-
Database identifiers
- CAS
21258-09-3- PubChem CID
- 696323
- DTXSID
DTXSID10943676- ChEMBL
CHEMBL3087554
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 82.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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