1-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-3-(1-propylpiperidin-1-ium-4-yl)thiourea

Systemtic Name: 1-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-3-(1-propylpiperidin-1-ium-4-yl)thiourea Openeye Name: 1-[4-(difluoromethylsulfanyl)phenyl]-3-(1-propylpiperidin-1-ium-4-yl)thiourea CAS Name: 1-[4-(difluoromethylthio)phenyl]-3-(1-propyl-4-piperidin-1-iumyl)thiourea IUPAC Name: 1-[4-(difluoromethylsulfanyl)phenyl]-3-(1-propylpiperidin-1-ium-4-yl)thiourea Traditional Name: 1-[4-(difluoromethylthio)phenyl]-3-(1-propylpiperidin-1-ium-4-yl)thiourea Formula: C16H24F2N3S2+ MolecularWeight: 360.508666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23F2N3S2/c1-2-9-21-10-7-13(8-11-21)20-16(22)19-12-3-5-14(6-4-12)23-15(17)18/h3-6,13,15H,2,7-11H2,1H3,(H2,19,20,22)/p+1