5-{1-Ethoxycarbonyl-1-[2-(3-phenylureido)thiazol-4-yl]methylene}rhodanine acetic acid

HCID 54136396

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

Related reactions

7 records

Compound notes

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