5-(3-azanyl-2-methylsulfanyl-3-oxidanylidene-propyl)-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide

Systemtic Name: 5-(3-azanyl-2-methylsulfanyl-3-oxidanylidene-propyl)-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide Openeye Name: 5-(3-amino-2-methylsulfanyl-3-oxo-propyl)-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide CAS Name: 5-[3-amino-2-(methylthio)-3-oxopropyl]-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide IUPAC Name: 5-(3-amino-2-methylsulfanyl-3-oxopropyl)-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide Traditional Name: 5-[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=C(C=C(C=C1)CC(C(=O)N)SC)C(=O)NCC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)CC(C(=O)N)SC)C(=O)NCC2=CC=C(C=C2)C(F)(F)F

InChI

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