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

Systemtic Name: 3-[1-(3-azanylpropyl)-6-methylsulfanyl-indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione Openeye Name: 3-[1-(3-aminopropyl)-6-methylsulfanyl-indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione CAS Name: 3-[1-(3-aminopropyl)-6-(methylthio)-3-indolyl]-4-(1H-indol-3-yl)pyrrole-2,5-dione IUPAC Name: 3-[1-(3-aminopropyl)-6-methylsulfanylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione Traditional Name: 3-[1-(3-aminopropyl)-6-(methylthio)indol-3-yl]-4-(1H-indol-3-yl)-3-pyrroline-2,5-quinone Formula: C24H22N4O2S MolecularWeight: 430.52208

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)C(=CN2CCCN)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

CSC1=CC2=C(C=C1)C(=CN2CCCN)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C24H22N4O2S/c1-31-14-7-8-16-18(13-28(10-4-9-25)20(16)11-14)22-21(23(29)27-24(22)30)17-12-26-19-6-3-2-5-15(17)19/h2-3,5-8,11-13,26H,4,9-10,25H2,1H3,(H,27,29,30)