methyl N-[[5-bromanyl-2-(2-methoxyethoxy)phenyl]carbonylcarbamothioylamino]carbamate

Systemtic Name: methyl N-[[5-bromanyl-2-(2-methoxyethoxy)phenyl]carbonylcarbamothioylamino]carbamate Openeye Name: methyl N-[[5-bromo-2-(2-methoxyethoxy)benzoyl]carbamothioylamino]carbamate CAS Name: N-[[[[[5-bromo-2-(2-methoxyethoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-[[5-bromo-2-(2-methoxyethoxy)benzoyl]carbamothioylamino]carbamate Traditional Name: N-[[5-bromo-2-(2-methoxyethoxy)benzoyl]thiocarbamoylamino]carbamic acid methyl ester Formula: C13H16BrN3O5S MolecularWeight: 406.25224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)OC

Isomeric SMILES

COCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)OC

InChI

InChI=1S/C13H16BrN3O5S/c1-20-5-6-22-10-4-3-8(14)7-9(10)11(18)15-12(23)16-17-13(19)21-2/h3-4,7H,5-6H2,1-2H3,(H,17,19)(H2,15,16,18,23)