N-butan-2-yl-2-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoylamino]benzamide

Systemtic Name: N-butan-2-yl-2-[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylethanoylamino]benzamide Openeye Name: 2-[[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetyl]amino]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-2-[[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-butan-2-yl-2-[[2-[2-nitro-4-(trifluoromethyl)phenyl]sulfanylacetyl]amino]benzamide Traditional Name: 2-[[2-[[2-nitro-4-(trifluoromethyl)phenyl]thio]acetyl]amino]-N-sec-butyl-benzamide Formula: C20H20F3N3O4S MolecularWeight: 455.45071

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCC(C)NC(=O)C1=CC=CC=C1NC(=O)CSC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C20H20F3N3O4S/c1-3-12(2)24-19(28)14-6-4-5-7-15(14)25-18(27)11-31-17-9-8-13(20(21,22)23)10-16(17)26(29)30/h4-10,12H,3,11H2,1-2H3,(H,24,28)(H,25,27)