3-(1H-indol-3-yl)-4-[4-methylsulfanyl-1-(3-morpholin-4-yl-2-oxidanyl-propyl)indol-3-yl]pyrrole-2,5-dione

Systemtic Name: 3-(1H-indol-3-yl)-4-[4-methylsulfanyl-1-(3-morpholin-4-yl-2-oxidanyl-propyl)indol-3-yl]pyrrole-2,5-dione Openeye Name: 3-[1-(2-hydroxy-3-morpholino-propyl)-4-methylsulfanyl-indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione CAS Name: 3-[1-[2-hydroxy-3-(4-morpholinyl)propyl]-4-(methylthio)-3-indolyl]-4-(1H-indol-3-yl)pyrrole-2,5-dione IUPAC Name: 3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)-4-methylsulfanylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione Traditional Name: 3-[1-(2-hydroxy-3-morpholino-propyl)-4-(methylthio)indol-3-yl]-4-(1H-indol-3-yl)-3-pyrroline-2,5-quinone Formula: C28H28N4O4S MolecularWeight: 516.61132

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1C(=CN2CC(CN3CCOCC3)O)C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65

Isomeric SMILES

CSC1=CC=CC2=C1C(=CN2CC(CN3CCOCC3)O)C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C28H28N4O4S/c1-37-23-8-4-7-22-24(23)20(16-32(22)15-17(33)14-31-9-11-36-12-10-31)26-25(27(34)30-28(26)35)19-13-29-21-6-3-2-5-18(19)21/h2-8,13,16-17,29,33H,9-12,14-15H2,1H3,(H,30,34,35)