3-[(1-methyl-2-phenyl-indol-3-yl)methyl]-6-(2-methylsulfanylethyl)piperazine-2,5-dione

Systemtic Name: 3-[(1-methyl-2-phenyl-indol-3-yl)methyl]-6-(2-methylsulfanylethyl)piperazine-2,5-dione Openeye Name: 3-[(1-methyl-2-phenyl-indol-3-yl)methyl]-6-(2-methylsulfanylethyl)piperazine-2,5-dione CAS Name: 3-[(1-methyl-2-phenyl-3-indolyl)methyl]-6-[2-(methylthio)ethyl]piperazine-2,5-dione IUPAC Name: 3-[(1-methyl-2-phenylindol-3-yl)methyl]-6-(2-methylsulfanylethyl)piperazine-2,5-dione Traditional Name: 3-[(1-methyl-2-phenyl-indol-3-yl)methyl]-6-[2-(methylthio)ethyl]piperazine-2,5-quinone Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)CC4C(=O)NC(C(=O)N4)CCSC

Isomeric SMILES

CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)CC4C(=O)NC(C(=O)N4)CCSC

InChI

InChI=1S/C23H25N3O2S/c1-26-20-11-7-6-10-16(20)17(21(26)15-8-4-3-5-9-15)14-19-23(28)24-18(12-13-29-2)22(27)25-19/h3-11,18-19H,12-14H2,1-2H3,(H,24,28)(H,25,27)