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

Systemtic Name: 1-(4-methoxyphenyl)-3-[5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(4-methoxyphenyl)-3-[5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-(4-methoxyphenyl)-3-[5-[2-(1-piperidin-1-iumyl)ethylthio]-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(4-methoxyphenyl)-3-[5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-(4-methoxyphenyl)-3-[5-(2-piperidin-1-ium-1-ylethylthio)-1,3,4-thiadiazol-2-yl]urea Formula: C17H24N5O2S2+ MolecularWeight: 394.53476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)SCC[NH+]3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)SCC[NH+]3CCCCC3

InChI

InChI=1S/C17H23N5O2S2/c1-24-14-7-5-13(6-8-14)18-15(23)19-16-20-21-17(26-16)25-12-11-22-9-3-2-4-10-22/h5-8H,2-4,9-12H2,1H3,(H2,18,19,20,23)/p+1