1-tert-butyl-3-[5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea

Systemtic Name: 1-tert-butyl-3-[5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-tert-butyl-3-[5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-tert-butyl-3-[5-[2-(4-morpholin-4-iumyl)ethylthio]-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-tert-butyl-3-[5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-tert-butyl-3-[5-(2-morpholin-4-ium-4-ylethylthio)-1,3,4-thiadiazol-2-yl]urea Formula: C13H24N5O2S2+ MolecularWeight: 346.49196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=NN=C(S1)SCC[NH+]2CCOCC2

Isomeric SMILES

CC(C)(C)NC(=O)NC1=NN=C(S1)SCC[NH+]2CCOCC2

InChI

InChI=1S/C13H23N5O2S2/c1-13(2,3)15-10(19)14-11-16-17-12(22-11)21-9-6-18-4-7-20-8-5-18/h4-9H2,1-3H3,(H2,14,15,16,19)/p+1