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

Systemtic Name: 3-[(1-methylindol-3-yl)methyl]-6-(3-methylsulfanylpropyl)piperazine-2,5-dione Openeye Name: 3-[(1-methylindol-3-yl)methyl]-6-(3-methylsulfanylpropyl)piperazine-2,5-dione CAS Name: 3-[(1-methyl-3-indolyl)methyl]-6-[3-(methylthio)propyl]piperazine-2,5-dione IUPAC Name: 3-[(1-methylindol-3-yl)methyl]-6-(3-methylsulfanylpropyl)piperazine-2,5-dione Traditional Name: 3-[(1-methylindol-3-yl)methyl]-6-[3-(methylthio)propyl]piperazine-2,5-quinone Formula: C18H23N3O2S MolecularWeight: 345.45912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O2S/c1-21-11-12(13-6-3-4-8-16(13)21)10-15-18(23)19-14(17(22)20-15)7-5-9-24-2/h3-4,6,8,11,14-15H,5,7,9-10H2,1-2H3,(H,19,23)(H,20,22)