3-(1H-indol-3-yl)-4-[7-methylsulfanyl-1-(3-piperidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione

Systemtic Name: 3-(1H-indol-3-yl)-4-[7-methylsulfanyl-1-(3-piperidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione Openeye Name: 3-(1H-indol-3-yl)-4-[7-methylsulfanyl-1-[3-(1-piperidyl)propyl]indol-3-yl]pyrrole-2,5-dione CAS Name: 3-(1H-indol-3-yl)-4-[7-(methylthio)-1-[3-(1-piperidinyl)propyl]-3-indolyl]pyrrole-2,5-dione IUPAC Name: 3-(1H-indol-3-yl)-4-[7-methylsulfanyl-1-(3-piperidin-1-ylpropyl)indol-3-yl]pyrrole-2,5-dione Traditional Name: 3-(1H-indol-3-yl)-4-[7-(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=CC=CC2=C1N(C=C2C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54)CCCN6CCCCC6

Isomeric SMILES

CSC1=CC=CC2=C1N(C=C2C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54)CCCN6CCCCC6

InChI

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