O-[1-methyl-3-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] N-(4-iodophenyl)carbamothioate

Systemtic Name: O-[1-methyl-3-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)-3-oxidanidyl-imidazolidin-3-ium-4-yl] N-(4-iodophenyl)carbamothioate Openeye Name: O-[1-methyl-3-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)-3-oxido-imidazolidin-3-ium-4-yl] N-(4-iodophenyl)carbamothioate CAS Name: N-(4-iodophenyl)carbamothioic acid O-[[1-methyl-3-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)-3-oxido-4-imidazolidin-3-iumyl]] ester IUPAC Name: O-[1-methyl-3-(5-methylsulfonyl-1,3,4-thiadiazol-2-yl)-3-oxidoimidazolidin-3-ium-4-yl] N-(4-iodophenyl)carbamothioate Traditional Name: N-(4-iodophenyl)thiocarbamic acid O-[3-(5-mesyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C14H16IN5O4S3 MolecularWeight: 541.40741

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC([N+](C1)(C2=NN=C(S2)S(=O)(=O)C)[O-])OC(=S)NC3=CC=C(C=C3)I

Isomeric SMILES

CN1CC([N+](C1)(C2=NN=C(S2)S(=O)(=O)C)[O-])OC(=S)NC3=CC=C(C=C3)I

InChI

InChI=1S/C14H16IN5O4S3/c1-19-7-11(24-13(25)16-10-5-3-9(15)4-6-10)20(21,8-19)12-17-18-14(26-12)27(2,22)23/h3-6,11H,7-8H2,1-2H3,(H,16,25)