AC1NXXJS

methyl 4-[(Z)-[4-oxo-3-[6-oxo-6-(1,3-thiazol-2-ylamino)hexyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate

Also Known As: F1063-1469|(Z)-methyl 4-((4-oxo-3-(6-oxo-6-(thiazol-2-ylamino)hexyl)-2-thioxothiazolidin-5-ylidene)methyl)benzoate|METHYL 4-{[(5Z)-4-OXO-2-SULFANYLIDENE-3-{5-[(1,3-THIAZOL-2-YL)CARBAMOYL]PENTYL}-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}BENZOATE|methyl 4-[(Z)-[4-oxo-3-[6-oxo-6-(1,3-thiazol-2-ylamino)hexyl]-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]benzoate|methyl 4-({4-oxo-3-[5-(N-(1,3-thiazol-2-yl)carbamoyl)pentyl]-2-thioxo-1,3-thia zolidin-5-ylidene}methyl)benzoate

Molecular Formula	C21H21N3O4S3
Molecular Weight	475.06943 g/mol
LogP	4.33
Topological Polar Surface Area	88.6 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	9
Exact Mass	475.06943
Monoisotopic Mass	475.06943
Heavy Atoms	31
Complexity	987.8087

Chemical Identifiers

CAS Number	613225-66-4
SMILES	COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCCCC(=O)NC3=NC=CS3