RefChem:449046 structure

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

CAS: 330643-76-0
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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