3-[(1-methylindol-3-yl)methyl]-6-(2-phenylsulfanylethyl)piperazine-2,5-dione

Systemtic Name: 3-[(1-methylindol-3-yl)methyl]-6-(2-phenylsulfanylethyl)piperazine-2,5-dione Openeye Name: 3-[(1-methylindol-3-yl)methyl]-6-(2-phenylsulfanylethyl)piperazine-2,5-dione CAS Name: 3-[(1-methyl-3-indolyl)methyl]-6-[2-(phenylthio)ethyl]piperazine-2,5-dione IUPAC Name: 3-[(1-methylindol-3-yl)methyl]-6-(2-phenylsulfanylethyl)piperazine-2,5-dione Traditional Name: 3-[(1-methylindol-3-yl)methyl]-6-[2-(phenylthio)ethyl]piperazine-2,5-quinone Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)CC3C(=O)NC(C(=O)N3)CCSC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)CC3C(=O)NC(C(=O)N3)CCSC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O2S/c1-25-14-15(17-9-5-6-10-20(17)25)13-19-22(27)23-18(21(26)24-19)11-12-28-16-7-3-2-4-8-16/h2-10,14,18-19H,11-13H2,1H3,(H,23,27)(H,24,26)