AC1NQ2RT

ethyl 2-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Also Known As: F0305-0008|SR-01000424332-1|ethyl 2-(3-(4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoyl)thioureido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate|ethyl 2-{[(4-{2,4-dioxo-3-azatricyclo[7.3.1.0^{5,13}]trideca-1(13),5,7,9,11-pentaen-3-yl}butanamido)methanethioyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-[4-(1,3-dioxobenzo[de]isoquinolin-2-yl)butanoylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-({[4-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)butanoyl]carbamothioyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate|ethyl 2-{3-[4-(1,3-dioxo-2-aza-2,3-dihydro-1H-phenalen-2-yl)butyryl]thioureido}-1-thia-4,5,6,7-tetrahydro-3-indenecarboxylate

Molecular Formula	C28H27N3O5S2
Molecular Weight	549.1392 g/mol
LogP	4.8462
Topological Polar Surface Area	104.81 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	549.1392
Monoisotopic Mass	549.1392
Heavy Atoms	38
Complexity	1427.89

Chemical Identifiers

CAS Number	324774-47-2
SMILES	CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC(=O)CCCN3C(=O)C4=CC=CC5=C4C(=CC=C5)C3=O