3-methyl-N-[(1S)-2,2,2-tris(chloranyl)-1-[[3-(trifluoromethyl)phenyl]carbamothioylamino]ethyl]butanamide

Systemtic Name: 3-methyl-N-[(1S)-2,2,2-tris(chloranyl)-1-[[3-(trifluoromethyl)phenyl]carbamothioylamino]ethyl]butanamide Openeye Name: 3-methyl-N-[(1S)-2,2,2-trichloro-1-[[3-(trifluoromethyl)phenyl]carbamothioylamino]ethyl]butanamide CAS Name: 3-methyl-N-[(1S)-2,2,2-trichloro-1-[[sulfanylidene-[3-(trifluoromethyl)anilino]methyl]amino]ethyl]butanamide IUPAC Name: 3-methyl-N-[(1S)-2,2,2-trichloro-1-[[3-(trifluoromethyl)phenyl]carbamothioylamino]ethyl]butanamide Traditional Name: 3-methyl-N-[(1S)-2,2,2-trichloro-1-[[3-(trifluoromethyl)phenyl]thiocarbamoylamino]ethyl]butyramide Formula: C15H17Cl3F3N3OS MolecularWeight: 450.73419

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC(=C1)C(F)(F)F

Isomeric SMILES

CC(C)CC(=O)N[C@H](C(Cl)(Cl)Cl)NC(=S)NC1=CC=CC(=C1)C(F)(F)F

InChI

InChI=1S/C15H17Cl3F3N3OS/c1-8(2)6-11(25)23-12(14(16,17)18)24-13(26)22-10-5-3-4-9(7-10)15(19,20)21/h3-5,7-8,12H,6H2,1-2H3,(H,23,25)(H2,22,24,26)/t12-/m0/s1