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

Systemtic Name: methyl N-[(5-bromanyl-2-ethoxy-phenyl)carbonylcarbamothioylamino]carbamate Openeye Name: methyl N-[(5-bromo-2-ethoxy-benzoyl)carbamothioylamino]carbamate CAS Name: N-[[[[(5-bromo-2-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-[(5-bromo-2-ethoxybenzoyl)carbamothioylamino]carbamate Traditional Name: N-[(5-bromo-2-ethoxy-benzoyl)thiocarbamoylamino]carbamic acid methyl ester Formula: C12H14BrN3O4S MolecularWeight: 376.22626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)OC

InChI

InChI=1S/C12H14BrN3O4S/c1-3-20-9-5-4-7(13)6-8(9)10(17)14-11(21)15-16-12(18)19-2/h4-6H,3H2,1-2H3,(H,16,18)(H2,14,15,17,21)