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

Systemtic Name: ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)-5-propyl-pyridin-3-yl]carbamothioyl]carbamate Openeye Name: ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)-5-propyl-3-pyridyl]carbamothioyl]carbamate CAS Name: N-[[[2-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]-5-propyl-3-pyridinyl]amino]-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[[2-(ethoxycarbonylcarbamothioylamino)-5-propylpyridin-3-yl]carbamothioyl]carbamate Traditional Name: N-[[2-(carbethoxythiocarbamoylamino)-5-propyl-3-pyridyl]thiocarbamoyl]carbamic acid ethyl ester Formula: C16H23N5O4S2 MolecularWeight: 413.51492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(N=C1)NC(=S)NC(=O)OCC)NC(=S)NC(=O)OCC

Isomeric SMILES

CCCC1=CC(=C(N=C1)NC(=S)NC(=O)OCC)NC(=S)NC(=O)OCC

InChI

InChI=1S/C16H23N5O4S2/c1-4-7-10-8-11(18-13(26)20-15(22)24-5-2)12(17-9-10)19-14(27)21-16(23)25-6-3/h8-9H,4-7H2,1-3H3,(H2,18,20,22,26)(H2,17,19,21,23,27)