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

Systemtic Name: 3-(1H-indol-3-yl)-4-[7-methylsulfanyl-1-(3-morpholin-4-ylpropyl)indol-3-yl]pyrrole-2,5-dione Openeye Name: 3-(1H-indol-3-yl)-4-[7-methylsulfanyl-1-(3-morpholinopropyl)indol-3-yl]pyrrole-2,5-dione CAS Name: 3-(1H-indol-3-yl)-4-[7-(methylthio)-1-[3-(4-morpholinyl)propyl]-3-indolyl]pyrrole-2,5-dione IUPAC Name: 3-(1H-indol-3-yl)-4-[7-methylsulfanyl-1-(3-morpholin-4-ylpropyl)indol-3-yl]pyrrole-2,5-dione Traditional Name: 3-(1H-indol-3-yl)-4-[7-(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=CC=CC2=C1N(C=C2C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54)CCCN6CCOCC6

Isomeric SMILES

CSC1=CC=CC2=C1N(C=C2C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54)CCCN6CCOCC6

InChI

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