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

Systemtic Name: 3-[(1-methylindol-3-yl)methyl]-6-(prop-2-enylsulfanylmethyl)piperazine-2,5-dione Openeye Name: 3-(allylsulfanylmethyl)-6-[(1-methylindol-3-yl)methyl]piperazine-2,5-dione CAS Name: 3-[(1-methyl-3-indolyl)methyl]-6-[(prop-2-enylthio)methyl]piperazine-2,5-dione IUPAC Name: 3-[(1-methylindol-3-yl)methyl]-6-(prop-2-enylsulfanylmethyl)piperazine-2,5-dione Traditional Name: 3-[(allylthio)methyl]-6-[(1-methylindol-3-yl)methyl]piperazine-2,5-quinone Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2S/c1-3-8-24-11-15-18(23)19-14(17(22)20-15)9-12-10-21(2)16-7-5-4-6-13(12)16/h3-7,10,14-15H,1,8-9,11H2,2H3,(H,19,23)(H,20,22)