2-methyl-N-[2-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoylamino]ethyl]propanamide

Systemtic Name: 2-methyl-N-[2-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoylamino]ethyl]propanamide Openeye Name: 2-methyl-N-[2-[[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetyl]amino]ethyl]propanamide CAS Name: 2-methyl-N-[2-[[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1-oxoethyl]amino]ethyl]propanamide IUPAC Name: 2-methyl-N-[2-[[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetyl]amino]ethyl]propanamide Traditional Name: 2-methyl-N-[2-[[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetyl]amino]ethyl]propionamide Formula: C15H18F3N3O4S MolecularWeight: 393.38133

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NCCNC(=O)CSC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NCCNC(=O)CSC1=C(C=C(C=C1)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C15H18F3N3O4S/c1-9(2)14(23)20-6-5-19-13(22)8-26-12-4-3-10(15(16,17)18)7-11(12)21(24)25/h3-4,7,9H,5-6,8H2,1-2H3,(H,19,22)(H,20,23)