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

Systemtic Name: 3-[(1-methylindol-3-yl)methyl]-6-(phenylsulfanylmethyl)piperazine-2,5-dione Openeye Name: 3-[(1-methylindol-3-yl)methyl]-6-(phenylsulfanylmethyl)piperazine-2,5-dione CAS Name: 3-[(1-methyl-3-indolyl)methyl]-6-[(phenylthio)methyl]piperazine-2,5-dione IUPAC Name: 3-[(1-methylindol-3-yl)methyl]-6-(phenylsulfanylmethyl)piperazine-2,5-dione Traditional Name: 3-[(1-methylindol-3-yl)methyl]-6-[(phenylthio)methyl]piperazine-2,5-quinone Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=CC=CC=C21)CC3C(=O)NC(C(=O)N3)CSC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)CC3C(=O)NC(C(=O)N3)CSC4=CC=CC=C4

InChI

InChI=1S/C21H21N3O2S/c1-24-12-14(16-9-5-6-10-19(16)24)11-17-20(25)23-18(21(26)22-17)13-27-15-7-3-2-4-8-15/h2-10,12,17-18H,11,13H2,1H3,(H,22,26)(H,23,25)