RefChem:449046
2-[[4-cyano-3-[2-(2-cyanoanilino)-2-oxoethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-(2-cyanophenyl)acetamide
Also Known As: 2-[(4-CYANO-3-{[2-(2-CYANOANILINO)-2-OXOETHYL]SULFANYL}-5-ISOTHIAZOLYL)SULFANYL]-N-(2-CYANOPHENYL)ACETAMIDE|2,2'-((4-Cyanoisothiazole-3,5-diyl)bis(sulfanediyl))bis(N-(2-cyanophenyl)acetamide)|2-((4-Cyano-3-((2-(2-cyanoanilino)-2-oxoethyl)sulfanyl)-5-isothiazolyl)sulfanyl)-N-(2-cyanophenyl)acetamide|2-(4-cyano-3-{[N-(2-cyanophenyl)carbamoyl]methylthio}isothiazol-5-ylthio)-N-(2 -cyanophenyl)acetamide|2-[[4-cyano-3-[2-(2-cyanoanilino)-2-oxoethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-(2-cyanophenyl)acetamide|649-053-7
| Molecular Formula | C22H14N6O2S3 |
|---|---|
| Molecular Weight | 490.03403 g/mol |
| LogP | 4.21974 |
| Topological Polar Surface Area | 142.46 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 490.03403 |
| Monoisotopic Mass | 490.03403 |
| Heavy Atoms | 33 |
| Complexity | 1223.641 |
Chemical Identifiers
| CAS Number | 330643-76-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)NC(=O)CSC2=C(C(=NS2)SCC(=O)NC3=CC=CC=C3C#N)C#N |
Product Overview
RefChem:449046 (CAS 330643-76-0), with molecular formula C22H14N6O2S3 and molecular weight 490.03403 g/mol. IUPAC: 2-[[4-cyano-3-[2-(2-cyanoanilino)-2-oxoethyl]sulfanyl-1,2-thiazol-5-yl]sulfanyl]-N-(2-cyanophenyl)acetamide.
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