3-methyl-N-[[2-nitro-4-(trifluoromethyl)phenyl]carbamothioyl]butanamide

Systemtic Name: 3-methyl-N-[[2-nitro-4-(trifluoromethyl)phenyl]carbamothioyl]butanamide Openeye Name: 3-methyl-N-[[2-nitro-4-(trifluoromethyl)phenyl]carbamothioyl]butanamide CAS Name: 3-methyl-N-[[2-nitro-4-(trifluoromethyl)anilino]-sulfanylidenemethyl]butanamide IUPAC Name: 3-methyl-N-[[2-nitro-4-(trifluoromethyl)phenyl]carbamothioyl]butanamide Traditional Name: 3-methyl-N-[[2-nitro-4-(trifluoromethyl)phenyl]thiocarbamoyl]butyramide Formula: C13H14F3N3O3S MolecularWeight: 349.32877

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14F3N3O3S/c1-7(2)5-11(20)18-12(23)17-9-4-3-8(13(14,15)16)6-10(9)19(21)22/h3-4,6-7H,5H2,1-2H3,(H2,17,18,20,23)