4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-[5-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]butanamide

Systemtic Name: 4-[1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-N-[5-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]butanamide Openeye Name: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[5-[2-(4-fluorophenyl)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]butanamide CAS Name: 4-(1,3-dioxo-2-benzo[de]isoquinolinyl)-N-[5-[[2-(4-fluorophenyl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]butanamide IUPAC Name: 4-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[5-[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]butanamide Traditional Name: 4-(1,3-diketobenzo[de]isoquinolin-2-yl)-N-[5-[[2-(4-fluorophenyl)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]butyramide Formula: C26H19FN4O4S2 MolecularWeight: 534.581863

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)NC4=NN=C(S4)SCC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCCC(=O)NC4=NN=C(S4)SCC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H19FN4O4S2/c27-17-11-9-15(10-12-17)20(32)14-36-26-30-29-25(37-26)28-21(33)8-3-13-31-23(34)18-6-1-4-16-5-2-7-19(22(16)18)24(31)35/h1-2,4-7,9-12H,3,8,13-14H2,(H,28,29,33)