2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[6-phenoxathiin-2-yl-4-(phenylmethyl)pyridazin-3-yl]-3-phenyl-propanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[6-phenoxathiin-2-yl-4-(phenylmethyl)pyridazin-3-yl]-3-phenyl-propanamide Openeye Name: N-(4-benzyl-6-phenoxathiin-2-yl-pyridazin-3-yl)-2-(1,3-dioxoisoindolin-2-yl)-3-phenyl-propanamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-N-[6-(2-phenoxathiinyl)-4-(phenylmethyl)-3-pyridazinyl]-3-phenylpropanamide IUPAC Name: N-(4-benzyl-6-phenoxathiin-2-ylpyridazin-3-yl)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanamide Traditional Name: N-(4-benzyl-6-phenoxathiin-2-yl-pyridazin-3-yl)-3-phenyl-2-phthalimido-propionamide Formula: C40H28N4O4S MolecularWeight: 660.73972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=NN=C2NC(=O)C(CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O)C6=CC7=C(C=C6)OC8=CC=CC=C8S7

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=NN=C2NC(=O)C(CC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O)C6=CC7=C(C=C6)OC8=CC=CC=C8S7

InChI

InChI=1S/C40H28N4O4S/c45-38(32(22-26-13-5-2-6-14-26)44-39(46)29-15-7-8-16-30(29)40(44)47)41-37-28(21-25-11-3-1-4-12-25)23-31(42-43-37)27-19-20-34-36(24-27)49-35-18-10-9-17-33(35)48-34/h1-20,23-24,32H,21-22H2,(H,41,43,45)