CBMicro_044136
methyl 4-[(Z)-[4-oxo-3-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate
Also Known As: CBMicro_044136|BIM-0043982.P001|METHYL 4-[(Z)-[4-OXO-2-SULFANYLIDENE-3-[3-(1,3-THIAZOL-2-YLCARBAMOYL)PROPYL]THIAZOLIDIN-5-YLIDENE]METHYL]BENZOATE|methyl 4-[(Z)-[4-oxo-3-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate|methyl 4-((Z)-{4-oxo-3-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]-2-thioxo-1,3-thiazolidin-5-ylidene}methyl)benzoate|methyl 4-({4-oxo-3-[3-(N-(1,3-thiazol-2-yl)carbamoyl)propyl]-2-thioxo-1,3-thia zolidin-5-ylidene}methyl)benzoate|methyl 4-({4-oxo-3-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]-2-thioxo-1,3-thiazolidin-5-ylidene}methyl)benzoate|methyl 4-[(Z)-{4-oxo-3-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]benzoate|methyl 4-[[4-oxo-3-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate|METHYL 4-{[(5Z)-4-OXO-2-SULFANYLIDENE-3-{3-[(1,3-THIAZOL-2-YL)CARBAMOYL]PROPYL}-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}BENZOATE
| Molecular Formula | C19H17N3O4S3 |
|---|---|
| Molecular Weight | 447.03812 g/mol |
| LogP | 3.5498 |
| Topological Polar Surface Area | 88.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.03812 |
| Monoisotopic Mass | 447.03812 |
| Heavy Atoms | 29 |
| Complexity | 955.5888 |
Chemical Identifiers
| CAS Number | 6069-89-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=NC=CS3 |
Product Overview
CBMicro_044136 (CAS 6069-89-2), with molecular formula C19H17N3O4S3 and molecular weight 447.03812 g/mol. IUPAC: methyl 4-[(Z)-[4-oxo-3-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate.