methyl N-[[2-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[2-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[2-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate CAS Name: N-[[2-[[(ethoxycarbonylamino)-sulfanylidenemethyl]amino]anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(ethoxycarbonylcarbamothioylamino)phenyl]carbamothioyl]carbamate Traditional Name: N-[[2-(carbethoxythiocarbamoylamino)phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C13H16N4O4S2 MolecularWeight: 356.42054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=S)NC1=CC=CC=C1NC(=S)NC(=O)OC

Isomeric SMILES

CCOC(=O)NC(=S)NC1=CC=CC=C1NC(=S)NC(=O)OC

InChI

InChI=1S/C13H16N4O4S2/c1-3-21-13(19)17-11(23)15-9-7-5-4-6-8(9)14-10(22)16-12(18)20-2/h4-7H,3H2,1-2H3,(H2,14,16,18,22)(H2,15,17,19,23)