ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)-5-propoxy-pyridin-3-yl]carbamothioyl]carbamate

Systemtic Name: ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)-5-propoxy-pyridin-3-yl]carbamothioyl]carbamate Openeye Name: ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)-5-propoxy-3-pyridyl]carbamothioyl]carbamate CAS Name: N-[[[2-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]-5-propoxy-3-pyridinyl]amino]-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)-5-propoxypyridin-3-yl]carbamothioyl]carbamate Traditional Name: N-[[2-(carbethoxythiocarbamoylamino)-5-propoxy-3-pyridyl]thiocarbamoyl]carbamic acid ethyl ester Formula: C16H23N5O5S2 MolecularWeight: 429.51432

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CN=C(C(=C1)NC(=S)NC(=O)OCC)NC(=S)NC(=O)OCC

Isomeric SMILES

CCCOC1=CN=C(C(=C1)NC(=S)NC(=O)OCC)NC(=S)NC(=O)OCC

InChI

InChI=1S/C16H23N5O5S2/c1-4-7-26-10-8-11(18-13(27)20-15(22)24-5-2)12(17-9-10)19-14(28)21-16(23)25-6-3/h8-9H,4-7H2,1-3H3,(H2,18,20,22,27)(H2,17,19,21,23,28)