1-(2-methylsulfanylethanoyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one

Systemtic Name: 1-(2-methylsulfanylethanoyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one Openeye Name: 1-(2-methylsulfanylacetyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one CAS Name: 1-[2-(methylthio)-1-oxoethyl]-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one IUPAC Name: 1-(2-methylsulfanylacetyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one Traditional Name: 1-[2-(methylthio)acetyl]-4-[2-(trifluoromethyl)benzyl]-1,4-diazepan-5-one Formula: C16H19F3N2O2S MolecularWeight: 360.39447

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)N1CCC(=O)N(CC1)CC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CSCC(=O)N1CCC(=O)N(CC1)CC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C16H19F3N2O2S/c1-24-11-15(23)20-7-6-14(22)21(9-8-20)10-12-4-2-3-5-13(12)16(17,18)19/h2-5H,6-11H2,1H3