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

Systemtic Name: 1-(4-methylphenyl)-3-[5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-[5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]-3-(p-tolyl)urea CAS Name: 1-(4-methylphenyl)-3-[5-[2-(4-morpholin-4-iumyl)ethylthio]-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(4-methylphenyl)-3-[5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-[5-(2-morpholin-4-ium-4-ylethylthio)-1,3,4-thiadiazol-2-yl]-3-(p-tolyl)urea Formula: C16H22N5O2S2+ MolecularWeight: 380.50818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)SCC[NH+]3CCOCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)NC2=NN=C(S2)SCC[NH+]3CCOCC3

InChI

InChI=1S/C16H21N5O2S2/c1-12-2-4-13(5-3-12)17-14(22)18-15-19-20-16(25-15)24-11-8-21-6-9-23-10-7-21/h2-5H,6-11H2,1H3,(H2,17,18,19,22)/p+1