N-(3-azanyl-2-methylsulfanyl-3-oxidanylidene-propyl)-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

Systemtic Name: N-(3-azanyl-2-methylsulfanyl-3-oxidanylidene-propyl)-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide Openeye Name: N-(3-amino-2-methylsulfanyl-3-oxo-propyl)-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide CAS Name: N-[3-amino-2-(methylthio)-3-oxopropyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide IUPAC Name: N-(3-amino-2-methylsulfanyl-3-oxopropyl)-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide Traditional Name: N-[3-amino-3-keto-2-(methylthio)propyl]-2-methoxy-N-[4-(trifluoromethyl)benzyl]benzamide Formula: C20H21F3N2O3S MolecularWeight: 426.45255

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N(CC2=CC=C(C=C2)C(F)(F)F)CC(C(=O)N)SC

Isomeric SMILES

COC1=CC=CC=C1C(=O)N(CC2=CC=C(C=C2)C(F)(F)F)CC(C(=O)N)SC

InChI

InChI=1S/C20H21F3N2O3S/c1-28-16-6-4-3-5-15(16)19(27)25(12-17(29-2)18(24)26)11-13-7-9-14(10-8-13)20(21,22)23/h3-10,17H,11-12H2,1-2H3,(H2,24,26)