Basic information
- Standard SMILES
CCOC(=O)C(=C1SC(=S)N(CC(=O)O)C1=O)c1csc(NC(=O)Nc2ccccc2)n1- InChIKey
NXZRIRJPDAWKNA-UHFFFAOYSA-N- Molecular formula
- C19H16N4O6S3
- Average molar mass
- 492.6 g/mol
- Monoisotopic mass
- 492.02319776
Names & identifiers
- Preferred name
- 5-{1-Ethoxycarbonyl-1-[2-(3-phenylureido)thiazol-4-yl]methylene}rhodanine acetic acid
- IUPAC
- 2-[5-[2-ethoxy-2-oxo-1-[2-(phenylcarbamoylamino)-1,3-thiazol-4-yl]ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Names & synonyms
5-{1-ethoxycarbonyl-1-[2-(3-phenylureido)thiazol-4-yl]methylene]rhodanine-3-acetic acid5-{1-Ethoxycarbonyl-1-[2-(3-phenylureido)thiazol-4-yl]methylene}rhodanine-3-acetic acidSCHEMBL10422662NXZRIRJPDAWKNA-UHFFFAOYSA-N5-{1-Ethoxycarbonyl-1-[2-(3-phenylureido)thiazol-4-yl]methylene}rhodanine acetic acid
Database identifiers
- PubChem CID
- 54136396
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 224 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 830
Related reactions
7 records
Compound notes
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