O-[3-methyl-1-oxidanidyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)imidazolidin-1-ium-2-yl] 3-propylbenzenecarbothioate

Systemtic Name: O-[3-methyl-1-oxidanidyl-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)imidazolidin-1-ium-2-yl] 3-propylbenzenecarbothioate Openeye Name: O-[1-(5-isopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-oxido-imidazolidin-1-ium-2-yl] 3-propylbenzenecarbothioate CAS Name: 3-propylbenzenecarbothioic acid O-[3-methyl-1-oxido-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-2-imidazolidin-1-iumyl] ester IUPAC Name: O-[3-methyl-1-oxido-1-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)imidazolidin-1-ium-2-yl] 3-propylbenzenecarbothioate Traditional Name: 3-propylthiobenzoic acid O-[1-(5-isopropyl-1,3,4-thiadiazol-2-yl)-3-methyl-1-oxido-imidazolidin-1-ium-2-yl] ester Formula: C19H26N4O2S2 MolecularWeight: 406.56534

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC(=C1)C(=S)OC2N(CC[N+]2(C3=NN=C(S3)C(C)C)[O-])C

Isomeric SMILES

CCCC1=CC=CC(=C1)C(=S)OC2N(CC[N+]2(C3=NN=C(S3)C(C)C)[O-])C

InChI

InChI=1S/C19H26N4O2S2/c1-5-7-14-8-6-9-15(12-14)17(26)25-19-22(4)10-11-23(19,24)18-21-20-16(27-18)13(2)3/h6,8-9,12-13,19H,5,7,10-11H2,1-4H3