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

Systemtic Name: 1-(3,4-dimethoxyphenyl)-3-[5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(3,4-dimethoxyphenyl)-3-[5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-(3,4-dimethoxyphenyl)-3-[5-[2-(1-piperidin-1-iumyl)ethylthio]-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(3,4-dimethoxyphenyl)-3-[5-(2-piperidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-(3,4-dimethoxyphenyl)-3-[5-(2-piperidin-1-ium-1-ylethylthio)-1,3,4-thiadiazol-2-yl]urea Formula: C18H26N5O3S2+ MolecularWeight: 424.56074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N5O3S2/c1-25-14-7-6-13(12-15(14)26-2)19-16(24)20-17-21-22-18(28-17)27-11-10-23-8-4-3-5-9-23/h6-7,12H,3-5,8-11H2,1-2H3,(H2,19,20,21,24)/p+1