O-[3-[5-[(E)-hex-4-enyl]-1,3,4-thiadiazol-2-yl]-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] N-cyclopentylcarbamothioate

Systemtic Name: O-[3-[5-[(E)-hex-4-enyl]-1,3,4-thiadiazol-2-yl]-1-methyl-3-oxidanidyl-imidazolidin-3-ium-4-yl] N-cyclopentylcarbamothioate Openeye Name: O-[3-[5-[(E)-hex-4-enyl]-1,3,4-thiadiazol-2-yl]-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] N-cyclopentylcarbamothioate CAS Name: N-cyclopentylcarbamothioic acid O-[[3-[5-[(E)-hex-4-enyl]-1,3,4-thiadiazol-2-yl]-1-methyl-3-oxido-4-imidazolidin-3-iumyl]] ester IUPAC Name: O-[3-[5-[(E)-hex-4-enyl]-1,3,4-thiadiazol-2-yl]-1-methyl-3-oxidoimidazolidin-3-ium-4-yl] N-cyclopentylcarbamothioate Traditional Name: N-cyclopentylthiocarbamic acid O-[3-[5-[(E)-hex-4-enyl]-1,3,4-thiadiazol-2-yl]-1-methyl-3-oxido-imidazolidin-3-ium-4-yl] ester Formula: C18H29N5O2S2 MolecularWeight: 411.58516

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCCCC1=NN=C(S1)[N+]2(CN(CC2OC(=S)NC3CCCC3)C)[O-]

Isomeric SMILES

C/C=C/CCCC1=NN=C(S1)[N+]2(CN(CC2OC(=S)NC3CCCC3)C)[O-]

InChI

InChI=1S/C18H29N5O2S2/c1-3-4-5-6-11-15-20-21-17(27-15)23(24)13-22(2)12-16(23)25-18(26)19-14-9-7-8-10-14/h3-4,14,16H,5-13H2,1-2H3,(H,19,26)/b4-3+