Basic information
- CAS
6601-70-3- Standard SMILES
COC(=O)c1ccccc1NC(=S)NC(=O)Cc1ccccc1- InChIKey
IPLSAGMYMDHJAS-UHFFFAOYSA-N- Molecular formula
- C17H16N2O3S
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.08816355
Names & identifiers
- Preferred name
- Methyl 2-{[(phenylacetyl)carbamothioyl]amino}benzoate
- IUPAC
- methyl 2-[(2-phenylacetyl)carbamothioylamino]benzoate
Names & synonyms
6601-70-3methyl 2-{[(phenylacetyl)carbamothioyl]amino}benzoateMETHYL 2-[(2-PHENYLACETYL)THIOCARBAMOYLAMINO]BENZOATEmethyl 2-[(2-phenylacetyl)carbamothioylamino]benzoateOprea1_855547DTXSID90358284STK141546AKOS000498454AN-329/40968094SR-01000238415SR-01000238415-1methyl 2-({[(phenylacetyl)amino]carbothioyl}amino)benzoate
Database identifiers
- CAS
6601-70-3- PubChem CID
- 884580
- DTXSID
DTXSID90358284
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 99.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 436
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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