AC1O2MRX

4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-4-nitrophenyl)butanamide

Also Known As: F1063-0590|4-[(5Z)-5-[(2H-1,3-benzodioxol-5-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-4-nitrophenyl)butanamide|(Z)-4-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)-N-(2-hydroxy-4-nitrophenyl)butanamide|4-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(2-hydroxy-4-nitrophenyl)butanamide|4-[5-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethylene)-4-oxo-2-thioxo(1,3-thiazolidi n-3-yl)]-N-(2-hydroxy-4-nitrophenyl)butanamide

Molecular Formula	C21H17N3O7S2
Molecular Weight	487.05078 g/mol
LogP	3.6492
Topological Polar Surface Area	131.24 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	7
Exact Mass	487.05078
Monoisotopic Mass	487.05078
Heavy Atoms	33
Complexity	1198.3759

Chemical Identifiers

CAS Number	681815-22-5
SMILES	C1OC2=C(O1)C=C(C=C2)/C=C\3/C(=O)N(C(=S)S3)CCCC(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])O