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

Systemtic Name: O-[3-(5-butylsulfinyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] N-(3-propoxyphenyl)carbamothioate Openeye Name: O-[3-(5-butylsulfinyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] N-(3-propoxyphenyl)carbamothioate CAS Name: N-(3-propoxyphenyl)carbamothioic acid O-[[3-(5-butylsulfinyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-4-imidazolidin-3-iumyl]] ester IUPAC Name: O-[3-(5-butylsulfinyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] N-(3-propoxyphenyl)carbamothioate Traditional Name: N-(3-propoxyphenyl)thiocarbamic acid O-[3-(5-butylsulfinyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C20H29N5O4S3 MolecularWeight: 499.67036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)C1=NN=C(S1)[N+]2(CN(CC2OC(=S)NC3=CC(=CC=C3)OCCC)C)[O-]

Isomeric SMILES

CCCCS(=O)C1=NN=C(S1)[N+]2(CN(CC2OC(=S)NC3=CC(=CC=C3)OCCC)C)[O-]

InChI

InChI=1S/C20H29N5O4S3/c1-4-6-11-32(27)20-23-22-18(31-20)25(26)14-24(3)13-17(25)29-19(30)21-15-8-7-9-16(12-15)28-10-5-2/h7-9,12,17H,4-6,10-11,13-14H2,1-3H3,(H,21,30)