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

Systemtic Name: 3-(1H-indol-3-yl)-4-[4-methylsulfanyl-1-(2-oxidanyl-3-piperidin-1-yl-propyl)indol-3-yl]pyrrole-2,5-dione Openeye Name: 3-[1-[2-hydroxy-3-(1-piperidyl)propyl]-4-methylsulfanyl-indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione CAS Name: 3-[1-[2-hydroxy-3-(1-piperidinyl)propyl]-4-(methylthio)-3-indolyl]-4-(1H-indol-3-yl)pyrrole-2,5-dione IUPAC Name: 3-[1-(2-hydroxy-3-piperidin-1-ylpropyl)-4-methylsulfanylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione Traditional Name: 3-[1-(2-hydroxy-3-piperidino-propyl)-4-(methylthio)indol-3-yl]-4-(1H-indol-3-yl)-3-pyrroline-2,5-quinone Formula: C29H30N4O3S MolecularWeight: 514.6385

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1C(=CN2CC(CN3CCCCC3)O)C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65

Isomeric SMILES

CSC1=CC=CC2=C1C(=CN2CC(CN3CCCCC3)O)C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C29H30N4O3S/c1-37-24-11-7-10-23-25(24)21(17-33(23)16-18(34)15-32-12-5-2-6-13-32)27-26(28(35)31-29(27)36)20-14-30-22-9-4-3-8-19(20)22/h3-4,7-11,14,17-18,30,34H,2,5-6,12-13,15-16H2,1H3,(H,31,35,36)