1-(4-fluorophenyl)-3-[5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea

Systemtic Name: 1-(4-fluorophenyl)-3-[5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(4-fluorophenyl)-3-[5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-(4-fluorophenyl)-3-[5-[2-(1-piperidin-1-iumyl)ethylthio]-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(4-fluorophenyl)-3-[5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-(4-fluorophenyl)-3-[5-(2-piperidin-1-ium-1-ylethylthio)-1,3,4-thiadiazol-2-yl]urea Formula: C16H21FN5OS2+ MolecularWeight: 382.499243

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCSC2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)F

Isomeric SMILES

C1CC[NH+](CC1)CCSC2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)F

InChI

InChI=1S/C16H20FN5OS2/c17-12-4-6-13(7-5-12)18-14(23)19-15-20-21-16(25-15)24-11-10-22-8-2-1-3-9-22/h4-7H,1-3,8-11H2,(H2,18,19,20,23)/p+1