Basic information
- Standard SMILES
CCNc1ccc(C(C)=O)cc1N=C1SC(=C2Sc3ccccc3N2C)C(=O)N1Cc1ccc(C(=O)OC)cc1- InChIKey
YVAKRWQWIMNOFD-UHFFFAOYSA-N- Molecular formula
- C30H28N4O4S2
- Average molar mass
- 572.7 g/mol
- Monoisotopic mass
- 572.15519773
Names & identifiers
- Preferred name
- Methyl 4-[2-(5-Acetyl-2-ethylaminophenylimino)-5-(3-methyl-3H-benzothiazol-2-ylidene)-4-oxothiazolidin-3-ylmethyl]benzoate
- IUPAC
- methyl 4-[[2-[5-acetyl-2-(ethylamino)phenyl]imino-5-(3-methyl-1,3-benzothiazol-2-ylidene)-4-oxo-1,3-thiazolidin-3-yl]methyl]benzoate
Names & synonyms
SCHEMBL2336469YVAKRWQWIMNOFD-UHFFFAOYSA-NMethyl 4-[2-(5-Acetyl-2-ethylaminophenylimino)-5-(3-methyl-3H-benzothiazol-2-ylidene)-4-oxothiazolidin-3-ylmethyl]benzoate
Database identifiers
- PubChem CID
- 73855010
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 142 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 8
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
2 records
Compound notes
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