1-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]thiourea

Systemtic Name: 1-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Openeye Name: 1-[4-(difluoromethylsulfanyl)phenyl]-3-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea CAS Name: 1-[4-(difluoromethylthio)phenyl]-3-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]thiourea IUPAC Name: 1-[4-(difluoromethylsulfanyl)phenyl]-3-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]thiourea Traditional Name: 1-[4-(difluoromethylthio)phenyl]-3-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]thiourea Formula: C19H24F2N3OS2+ MolecularWeight: 412.540166

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=S)NC2=CC=C(C=C2)SC(F)F)C3=CC=CO3

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=S)NC2=CC=C(C=C2)SC(F)F)C3=CC=CO3

InChI

InChI=1S/C19H23F2N3OS2/c20-18(21)27-15-8-6-14(7-9-15)23-19(26)22-13-16(17-5-4-12-25-17)24-10-2-1-3-11-24/h4-9,12,16,18H,1-3,10-11,13H2,(H2,22,23,26)/p+1/t16-/m0/s1