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

Systemtic Name: 3-[(1-methylindol-3-yl)methyl]-6-[(phenylmethylsulfanyl)methyl]piperazine-2,5-dione Openeye Name: 3-(benzylsulfanylmethyl)-6-[(1-methylindol-3-yl)methyl]piperazine-2,5-dione CAS Name: 3-[(1-methyl-3-indolyl)methyl]-6-[(phenylmethylthio)methyl]piperazine-2,5-dione IUPAC Name: 3-(benzylsulfanylmethyl)-6-[(1-methylindol-3-yl)methyl]piperazine-2,5-dione Traditional Name: 3-[(benzylthio)methyl]-6-[(1-methylindol-3-yl)methyl]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)CSCC4=CC=CC=C4

Isomeric SMILES

CN1C=C(C2=CC=CC=C21)CC3C(=O)NC(C(=O)N3)CSCC4=CC=CC=C4

InChI

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