2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-N-methyl-propanethioamide

Systemtic Name: 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]amino]-N-methyl-propanethioamide Openeye Name: 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-N-methyl-propanethioamide CAS Name: 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-N-methylpropanethioamide IUPAC Name: 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-N-methylpropanethioamide Traditional Name: 2-[2,6-dinitro-4-(trifluoromethyl)anilino]-N-methyl-thiopropionamide Formula: C11H11F3N4O4S MolecularWeight: 352.28965

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=S)NC)NC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC(C(=S)NC)NC1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C11H11F3N4O4S/c1-5(10(23)15-2)16-9-7(17(19)20)3-6(11(12,13)14)4-8(9)18(21)22/h3-5,16H,1-2H3,(H,15,23)