1-[3,5-bis(fluoranyl)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)thiourea

Systemtic Name: 1-[3,5-bis(fluoranyl)phenyl]-3-(4-methylpiperazin-4-ium-1-yl)thiourea Openeye Name: 1-(3,5-difluorophenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea CAS Name: 1-(3,5-difluorophenyl)-3-(4-methyl-1-piperazin-4-iumyl)thiourea IUPAC Name: 1-(3,5-difluorophenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea Traditional Name: 1-(3,5-difluorophenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiourea Formula: C12H17F2N4S+ MolecularWeight: 287.351986

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)NC(=S)NC2=CC(=CC(=C2)F)F

Isomeric SMILES

C[NH+]1CCN(CC1)NC(=S)NC2=CC(=CC(=C2)F)F

InChI

InChI=1S/C12H16F2N4S/c1-17-2-4-18(5-3-17)16-12(19)15-11-7-9(13)6-10(14)8-11/h6-8H,2-5H2,1H3,(H2,15,16,19)/p+1