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

Systemtic Name: 1-(4-methylphenyl)-3-[5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-[5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-(p-tolyl)urea CAS Name: 1-(4-methylphenyl)-3-[5-[2-(1-piperidin-1-iumyl)ethylthio]-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(4-methylphenyl)-3-[5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-[5-(2-piperidin-1-ium-1-ylethylthio)-1,3,4-thiadiazol-2-yl]-3-(p-tolyl)urea Formula: C17H24N5OS2+ MolecularWeight: 378.53536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)SCC[NH+]3CCCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)SCC[NH+]3CCCCC3

InChI

InChI=1S/C17H23N5OS2/c1-13-5-7-14(8-6-13)18-15(23)19-16-20-21-17(25-16)24-12-11-22-9-3-2-4-10-22/h5-8H,2-4,9-12H2,1H3,(H2,18,19,20,23)/p+1