Methyl 4,5-dimethoxy-2-(phenylcarbamothioylamino)benzoate
Basic information
- CAS
6482-31-1- Standard SMILES
COC(=O)c1cc(OC)c(OC)cc1NC(=S)Nc1ccccc1- InChIKey
FWRQMFATSMIGFP-UHFFFAOYSA-N- Molecular formula
- C17H18N2O4S
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.09872823
Names & identifiers
- Preferred name
- Methyl 4,5-dimethoxy-2-(phenylcarbamothioylamino)benzoate
- IUPAC
- methyl 4,5-dimethoxy-2-(phenylcarbamothioylamino)benzoate
Names & synonyms
6482-31-1methyl 4,5-dimethoxy-2-[(phenylcarbamothioyl)amino]benzoatemethyl 4,5-dimethoxy-2-(phenylcarbamothioylamino)benzoateOprea1_560912DTXSID50983415STK099038AKOS003602648SR-01000235614SR-01000235614-1methyl 4,5-dimethoxy-2-(3-phenylthioureido)benzoatemethyl 2-[(anilinocarbonothioyl)amino]-4,5-dimethoxybenzoateN-[4,5-Dimethoxy-2-(methoxycarbonyl)phenyl]-N'-phenylcarbamimidothioic acid
Database identifiers
- CAS
6482-31-1- PubChem CID
- 883167
- DTXSID
DTXSID50983415
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 429
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Compound notes
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