3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

Systemtic Name: 3-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide Openeye Name: 3-(2-amino-2-oxo-ethyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide CAS Name: 3-[(2-amino-2-oxoethyl)thio]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide IUPAC Name: 3-(2-amino-2-oxoethyl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide Traditional Name: 3-[(2-amino-2-keto-ethyl)thio]-N-[3-(trifluoromethyl)benzyl]propionamide Formula: C13H15F3N2O2S MolecularWeight: 320.33061

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)CCSCC(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)CCSCC(=O)N

InChI

InChI=1S/C13H15F3N2O2S/c14-13(15,16)10-3-1-2-9(6-10)7-18-12(20)4-5-21-8-11(17)19/h1-3,6H,4-5,7-8H2,(H2,17,19)(H,18,20)