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

Systemtic Name: 3-[1-(2-azanylethyl)-4-methylsulfanyl-indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione Openeye Name: 3-[1-(2-aminoethyl)-4-methylsulfanyl-indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione CAS Name: 3-[1-(2-aminoethyl)-4-(methylthio)-3-indolyl]-4-(1H-indol-3-yl)pyrrole-2,5-dione IUPAC Name: 3-[1-(2-aminoethyl)-4-methylsulfanylindol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione Traditional Name: 3-[1-(2-aminoethyl)-4-(methylthio)indol-3-yl]-4-(1H-indol-3-yl)-3-pyrroline-2,5-quinone Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1C(=CN2CCN)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54

Isomeric SMILES

CSC1=CC=CC2=C1C(=CN2CCN)C3=C(C(=O)NC3=O)C4=CNC5=CC=CC=C54

InChI

InChI=1S/C23H20N4O2S/c1-30-18-8-4-7-17-19(18)15(12-27(17)10-9-24)21-20(22(28)26-23(21)29)14-11-25-16-6-3-2-5-13(14)16/h2-8,11-12,25H,9-10,24H2,1H3,(H,26,28,29)