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

Systemtic Name: 3-(1H-indol-3-yl)-4-[6-methylsulfanyl-1-(3-morpholin-4-ylpropyl)indol-3-yl]pyrrole-2,5-dione Openeye Name: 3-(1H-indol-3-yl)-4-[6-methylsulfanyl-1-(3-morpholinopropyl)indol-3-yl]pyrrole-2,5-dione CAS Name: 3-(1H-indol-3-yl)-4-[6-(methylthio)-1-[3-(4-morpholinyl)propyl]-3-indolyl]pyrrole-2,5-dione IUPAC Name: 3-(1H-indol-3-yl)-4-[6-methylsulfanyl-1-(3-morpholin-4-ylpropyl)indol-3-yl]pyrrole-2,5-dione Traditional Name: 3-(1H-indol-3-yl)-4-[6-(methylthio)-1-(3-morpholinopropyl)indol-3-yl]-3-pyrroline-2,5-quinone Formula: C28H28N4O3S MolecularWeight: 500.61192

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)C(=CN2CCCN3CCOCC3)C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65

Isomeric SMILES

CSC1=CC2=C(C=C1)C(=CN2CCCN3CCOCC3)C4=C(C(=O)NC4=O)C5=CNC6=CC=CC=C65

InChI

InChI=1S/C28H28N4O3S/c1-36-18-7-8-20-22(17-32(24(20)15-18)10-4-9-31-11-13-35-14-12-31)26-25(27(33)30-28(26)34)21-16-29-23-6-3-2-5-19(21)23/h2-3,5-8,15-17,29H,4,9-14H2,1H3,(H,30,33,34)