ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)-6-octoxy-pyridin-3-yl]carbamothioyl]carbamate

Systemtic Name: ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)-6-octoxy-pyridin-3-yl]carbamothioyl]carbamate Openeye Name: ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)-6-octoxy-3-pyridyl]carbamothioyl]carbamate CAS Name: N-[[[2-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]-6-octoxy-3-pyridinyl]amino]-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)-6-octoxypyridin-3-yl]carbamothioyl]carbamate Traditional Name: N-[[2-(carbethoxythiocarbamoylamino)-6-octoxy-3-pyridyl]thiocarbamoyl]carbamic acid ethyl ester Formula: C21H33N5O5S2 MolecularWeight: 499.64722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=NC(=C(C=C1)NC(=S)NC(=O)OCC)NC(=S)NC(=O)OCC

Isomeric SMILES

CCCCCCCCOC1=NC(=C(C=C1)NC(=S)NC(=O)OCC)NC(=S)NC(=O)OCC

InChI

InChI=1S/C21H33N5O5S2/c1-4-7-8-9-10-11-14-31-16-13-12-15(22-18(32)25-20(27)29-5-2)17(23-16)24-19(33)26-21(28)30-6-3/h12-13H,4-11,14H2,1-3H3,(H2,22,25,27,32)(H2,23,24,26,28,33)