4-methyl-8-(2-methylsulfanylpyridin-3-yl)carbonyl-2-(phenylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one

Systemtic Name: 4-methyl-8-(2-methylsulfanylpyridin-3-yl)carbonyl-2-(phenylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one Openeye Name: 2-benzyl-4-methyl-8-(2-methylsulfanylpyridine-3-carbonyl)-1,4,8-triazaspiro[4.5]decan-3-one CAS Name: 4-methyl-8-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-2-(phenylmethyl)-1,4,8-triazaspiro[4.5]decan-3-one IUPAC Name: 2-benzyl-4-methyl-8-(2-methylsulfanylpyridine-3-carbonyl)-1,4,8-triazaspiro[4.5]decan-3-one Traditional Name: 2-benzyl-4-methyl-8-[2-(methylthio)nicotinoyl]-1,4,8-triazaspiro[4.5]decan-3-one Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(NC12CCN(CC2)C(=O)C3=C(N=CC=C3)SC)CC4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C(NC12CCN(CC2)C(=O)C3=C(N=CC=C3)SC)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N4O2S/c1-25-21(28)18(15-16-7-4-3-5-8-16)24-22(25)10-13-26(14-11-22)20(27)17-9-6-12-23-19(17)29-2/h3-9,12,18,24H,10-11,13-15H2,1-2H3