3-(1H-indol-3-yl)-4-[6-methylsulfanyl-1-(3-piperidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione

Systemtic Name: 3-(1H-indol-3-yl)-4-[6-methylsulfanyl-1-(3-piperidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione Openeye Name: 3-(1H-indol-3-yl)-4-[6-methylsulfanyl-1-[3-(1-piperidyl)propyl]indol-3-yl]pyrrole-2,5-dione CAS Name: 3-(1H-indol-3-yl)-4-[6-(methylthio)-1-[3-(1-piperidinyl)propyl]-3-indolyl]pyrrole-2,5-dione IUPAC Name: 3-(1H-indol-3-yl)-4-[6-methylsulfanyl-1-(3-piperidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione Traditional Name: 3-(1H-indol-3-yl)-4-[6-(methylthio)-1-(3-piperidinopropyl)indol-3-yl]-3-pyrroline-2,5-quinone Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)C(=CN2CCCN3CCCCC3)C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65

Isomeric SMILES

CSC1=CC2=C(C=C1)C(=CN2CCCN3CCCCC3)C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C29H30N4O2S/c1-36-19-10-11-21-23(18-33(25(21)16-19)15-7-14-32-12-5-2-6-13-32)27-26(28(34)31-29(27)35)22-17-30-24-9-4-3-8-20(22)24/h3-4,8-11,16-18,30H,2,5-7,12-15H2,1H3,(H,31,34,35)