1-[2,5-bis(fluoranyl)phenyl]-3-(2-tert-butylsulfanylethyl)thiourea

Systemtic Name: 1-[2,5-bis(fluoranyl)phenyl]-3-(2-tert-butylsulfanylethyl)thiourea Openeye Name: 1-(2-tert-butylsulfanylethyl)-3-(2,5-difluorophenyl)thiourea CAS Name: 1-[2-(tert-butylthio)ethyl]-3-(2,5-difluorophenyl)thiourea IUPAC Name: 1-(2-tert-butylsulfanylethyl)-3-(2,5-difluorophenyl)thiourea Traditional Name: 1-[2-(tert-butylthio)ethyl]-3-(2,5-difluorophenyl)thiourea Formula: C13H18F2N2S2 MolecularWeight: 304.422226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNC(=S)NC1=C(C=CC(=C1)F)F

Isomeric SMILES

CC(C)(C)SCCNC(=S)NC1=C(C=CC(=C1)F)F

InChI

InChI=1S/C13H18F2N2S2/c1-13(2,3)19-7-6-16-12(18)17-11-8-9(14)4-5-10(11)15/h4-5,8H,6-7H2,1-3H3,(H2,16,17,18)