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

Systemtic Name: O-[3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] N-(2-methylphenyl)carbamothioate Openeye Name: O-[3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] N-(o-tolyl)carbamothioate CAS Name: N-(2-methylphenyl)carbamothioic acid O-[[3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl]] ester IUPAC Name: O-[3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] N-(2-methylphenyl)carbamothioate Traditional Name: N-(o-tolyl)thiocarbamic acid O-[3-(5-ethoxy-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C16H21N5O3S2 MolecularWeight: 395.49964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN=C(S1)[N+]2(CN(CC2OC(=S)NC3=CC=CC=C3C)C)[O-]

Isomeric SMILES

CCOC1=NN=C(S1)[N+]2(CN(CC2OC(=S)NC3=CC=CC=C3C)C)[O-]

InChI

InChI=1S/C16H21N5O3S2/c1-4-23-16-19-18-14(26-16)21(22)10-20(3)9-13(21)24-15(25)17-12-8-6-5-7-11(12)2/h5-8,13H,4,9-10H2,1-3H3,(H,17,25)