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

Systemtic Name: 5-(3-azanyl-3-oxidanylidene-2-sulfanyl-propyl)-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide Openeye Name: 5-(3-amino-3-oxo-2-sulfanyl-propyl)-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide CAS Name: 5-(3-amino-2-mercapto-3-oxopropyl)-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide IUPAC Name: 5-(3-amino-3-oxo-2-sulfanylpropyl)-2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide Traditional Name: 5-(3-amino-3-keto-2-mercapto-propyl)-2-methoxy-N-[4-(trifluoromethyl)benzyl]benzamide Formula: C19H19F3N2O3S MolecularWeight: 412.42597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19F3N2O3S/c1-27-15-7-4-12(9-16(28)17(23)25)8-14(15)18(26)24-10-11-2-5-13(6-3-11)19(20,21)22/h2-8,16,28H,9-10H2,1H3,(H2,23,25)(H,24,26)