1-tert-butyl-3-(3-fluoranyl-4-methyl-phenyl)thiourea

Systemtic Name: 1-tert-butyl-3-(3-fluoranyl-4-methyl-phenyl)thiourea Openeye Name: 1-tert-butyl-3-(3-fluoro-4-methyl-phenyl)thiourea CAS Name: 1-tert-butyl-3-(3-fluoro-4-methylphenyl)thiourea IUPAC Name: 1-tert-butyl-3-(3-fluoro-4-methylphenyl)thiourea Traditional Name: 1-tert-butyl-3-(3-fluoro-4-methyl-phenyl)thiourea Formula: C12H17FN2S MolecularWeight: 240.340183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)NC(C)(C)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)NC(C)(C)C)F

InChI

InChI=1S/C12H17FN2S/c1-8-5-6-9(7-10(8)13)14-11(16)15-12(2,3)4/h5-7H,1-4H3,(H2,14,15,16)