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

Systemtic Name: 3-[1-[3-(diethylamino)-2-oxidanyl-propyl]-5-methylsulfanyl-indol-3-yl]-4-(5-methylsulfanyl-1H-indol-3-yl)pyrrole-2,5-dione Openeye Name: 3-[1-[3-(diethylamino)-2-hydroxy-propyl]-5-methylsulfanyl-indol-3-yl]-4-(5-methylsulfanyl-1H-indol-3-yl)pyrrole-2,5-dione CAS Name: 3-[1-[3-(diethylamino)-2-hydroxypropyl]-5-(methylthio)-3-indolyl]-4-[5-(methylthio)-1H-indol-3-yl]pyrrole-2,5-dione IUPAC Name: 3-[1-[3-(diethylamino)-2-hydroxypropyl]-5-methylsulfanylindol-3-yl]-4-(5-methylsulfanyl-1H-indol-3-yl)pyrrole-2,5-dione Traditional Name: 3-[1-[3-(diethylamino)-2-hydroxy-propyl]-5-(methylthio)indol-3-yl]-4-[5-(methylthio)-1H-indol-3-yl]-3-pyrroline-2,5-quinone Formula: C29H32N4O3S2 MolecularWeight: 548.71938

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC(CN1C=C(C2=C1C=CC(=C2)SC)C3=C(C(=O)NC3=O)C4=CNC5=C4C=C(C=C5)SC)O

Isomeric SMILES

CCN(CC)CC(CN1C=C(C2=C1C=CC(=C2)SC)C3=C(C(=O)NC3=O)C4=CNC5=C4C=C(C=C5)SC)O

InChI

InChI=1S/C29H32N4O3S2/c1-5-32(6-2)14-17(34)15-33-16-23(21-12-19(38-4)8-10-25(21)33)27-26(28(35)31-29(27)36)22-13-30-24-9-7-18(37-3)11-20(22)24/h7-13,16-17,30,34H,5-6,14-15H2,1-4H3,(H,31,35,36)