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

Systemtic Name: 1-(2-methylsulfanylphenyl)carbonyl-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one Openeye Name: 1-(2-methylsulfanylbenzoyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one CAS Name: 1-[[2-(methylthio)phenyl]-oxomethyl]-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one IUPAC Name: 1-(2-methylsulfanylbenzoyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-5-one Traditional Name: 1-[2-(methylthio)benzoyl]-4-[2-(trifluoromethyl)benzyl]-1,4-diazepan-5-one Formula: C21H21F3N2O2S MolecularWeight: 422.46385

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)N2CCC(=O)N(CC2)CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CSC1=CC=CC=C1C(=O)N2CCC(=O)N(CC2)CC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H21F3N2O2S/c1-29-18-9-5-3-7-16(18)20(28)25-11-10-19(27)26(13-12-25)14-15-6-2-4-8-17(15)21(22,23)24/h2-9H,10-14H2,1H3