1-[3,5-bis(fluoranyl)phenyl]-3-(3-methylbutanoylamino)thiourea

Systemtic Name: 1-[3,5-bis(fluoranyl)phenyl]-3-(3-methylbutanoylamino)thiourea Openeye Name: 1-(3,5-difluorophenyl)-3-(3-methylbutanoylamino)thiourea CAS Name: 1-(3,5-difluorophenyl)-3-[(3-methyl-1-oxobutyl)amino]thiourea IUPAC Name: 1-(3,5-difluorophenyl)-3-(3-methylbutanoylamino)thiourea Traditional Name: 1-(3,5-difluorophenyl)-3-(isovalerylamino)thiourea Formula: C12H15F2N3OS MolecularWeight: 287.328806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NNC(=S)NC1=CC(=CC(=C1)F)F

Isomeric SMILES

CC(C)CC(=O)NNC(=S)NC1=CC(=CC(=C1)F)F

InChI

InChI=1S/C12H15F2N3OS/c1-7(2)3-11(18)16-17-12(19)15-10-5-8(13)4-9(14)6-10/h4-7H,3H2,1-2H3,(H,16,18)(H2,15,17,19)