1-butyl-3-[2-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-butyl-3-[2-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-butyl-3-[2-(trifluoromethyl)phenyl]thiourea CAS Name: 1-butyl-3-[2-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-butyl-3-[2-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-butyl-3-[2-(trifluoromethyl)phenyl]thiourea Formula: C12H15F3N2S MolecularWeight: 276.32111

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=CC=CC=C1C(F)(F)F

Isomeric SMILES

CCCCNC(=S)NC1=CC=CC=C1C(F)(F)F

InChI

InChI=1S/C12H15F3N2S/c1-2-3-8-16-11(18)17-10-7-5-4-6-9(10)12(13,14)15/h4-7H,2-3,8H2,1H3,(H2,16,17,18)