(2S)-2-(aminocarbonylamino)-N-[4-bromanyl-3-(trifluoromethyl)phenyl]-3-methyl-butanamide

Systemtic Name: (2S)-2-(aminocarbonylamino)-N-[4-bromanyl-3-(trifluoromethyl)phenyl]-3-methyl-butanamide Openeye Name: (2S)-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methyl-2-ureido-butanamide CAS Name: (2S)-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(carbamoylamino)-3-methylbutanamide IUPAC Name: (2S)-N-[4-bromo-3-(trifluoromethyl)phenyl]-2-(carbamoylamino)-3-methylbutanamide Traditional Name: (2S)-N-[4-bromo-3-(trifluoromethyl)phenyl]-3-methyl-2-ureido-butyramide Formula: C13H15BrF3N3O2 MolecularWeight: 382.17631

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC(=C(C=C1)Br)C(F)(F)F)NC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrF3N3O2/c1-6(2)10(20-12(18)22)11(21)19-7-3-4-9(14)8(5-7)13(15,16)17/h3-6,10H,1-2H3,(H,19,21)(H3,18,20,22)/t10-/m0/s1