Methyl 4-[(4-oxo-3-{4-oxo-4-[(1,3-thiazol-2-yl)amino]butyl}-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoate

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Basic information

CAS: 6069-89-2
Standard SMILES: COC(=O)c1ccc(C=C2SC(=S)N(CCCC(=O)Nc3nccs3)C2=O)cc1
InChIKey: NFWVPRRYFFDYKK-UHFFFAOYSA-N
Molecular formula: C19H17N3O4S3
Average molar mass: 447.6 g/mol
Monoisotopic mass: 447.03811955

Names & identifiers

Preferred name: Methyl 4-[(4-oxo-3-{4-oxo-4-[(1,3-thiazol-2-yl)amino]butyl}-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoate
IUPAC: methyl 4-[[4-oxo-3-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate

Names & synonyms

Methyl 4-[(4-oxo-3-{4-oxo-4-[(1,3-thiazol-2-yl)amino]butyl}-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoateCBMicro_044136SCHEMBL14119295DTXSID00387222

Database identifiers

CAS: 6069-89-2
PubChem CID: 2884271
DTXSID: DTXSID00387222

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 174 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 8
Heavy atoms: 29
Formal charge: 0
Complexity: 692

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Compound notes

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