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

Systemtic Name: 3-(5-methylsulfanyl-1H-indol-3-yl)-4-[5-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)-5-methylsulfanyl-indol-3-yl]-4-(5-methylsulfanyl-1H-indol-3-yl)pyrrole-2,5-dione CAS Name: 3-[1-[2-hydroxy-3-(4-morpholinyl)propyl]-5-(methylthio)-3-indolyl]-4-[5-(methylthio)-1H-indol-3-yl]pyrrole-2,5-dione IUPAC Name: 3-[1-(2-hydroxy-3-morpholin-4-ylpropyl)-5-methylsulfanylindol-3-yl]-4-(5-methylsulfanyl-1H-indol-3-yl)pyrrole-2,5-dione Traditional Name: 3-[1-(2-hydroxy-3-morpholino-propyl)-5-(methylthio)indol-3-yl]-4-[5-(methylthio)-1H-indol-3-yl]-3-pyrroline-2,5-quinone Formula: C29H30N4O4S2 MolecularWeight: 562.7029

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)NC=C2C3=C(C(=O)NC3=O)C4=CN(C5=C4C=C(C=C5)SC)CC(CN6CCOCC6)O

Isomeric SMILES

CSC1=CC2=C(C=C1)NC=C2C3=C(C(=O)NC3=O)C4=CN(C5=C4C=C(C=C5)SC)CC(CN6CCOCC6)O

InChI

InChI=1S/C29H30N4O4S2/c1-38-18-3-5-24-20(11-18)22(13-30-24)26-27(29(36)31-28(26)35)23-16-33(25-6-4-19(39-2)12-21(23)25)15-17(34)14-32-7-9-37-10-8-32/h3-6,11-13,16-17,30,34H,7-10,14-15H2,1-2H3,(H,31,35,36)