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

Systemtic Name: ethyl N-[[6-bromanyl-2-(ethoxycarbonylcarbamothioylamino)pyridin-3-yl]carbamothioyl]carbamate Openeye Name: ethyl N-[[6-bromo-2-(ethoxycarbonylcarbamothioylamino)-3-pyridyl]carbamothioyl]carbamate CAS Name: N-[[[6-bromo-2-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]-3-pyridinyl]amino]-sulfanylidenemethyl]carbamic acid ethyl ester IUPAC Name: ethyl N-[[6-bromo-2-(ethoxycarbonylcarbamothioylamino)pyridin-3-yl]carbamothioyl]carbamate Traditional Name: N-[[6-bromo-2-(carbethoxythiocarbamoylamino)-3-pyridyl]thiocarbamoyl]carbamic acid ethyl ester Formula: C13H16BrN5O4S2 MolecularWeight: 450.33124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)NC1=C(N=C(C=C1)Br)NC(=S)NC(=O)OCC

Isomeric SMILES

CCOC(=O)NC(=S)NC1=C(N=C(C=C1)Br)NC(=S)NC(=O)OCC

InChI

InChI=1S/C13H16BrN5O4S2/c1-3-22-12(20)18-10(24)15-7-5-6-8(14)16-9(7)17-11(25)19-13(21)23-4-2/h5-6H,3-4H2,1-2H3,(H2,15,18,20,24)(H2,16,17,19,21,25)