methyl N-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylcarbamothioylamino]carbamate

Systemtic Name: methyl N-[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylcarbamothioylamino]carbamate Openeye Name: methyl N-[[2-(2-bromo-4-ethyl-phenoxy)acetyl]carbamothioylamino]carbamate CAS Name: N-[[[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(2-bromo-4-ethylphenoxy)acetyl]carbamothioylamino]carbamate Traditional Name: N-[[2-(2-bromo-4-ethyl-phenoxy)acetyl]thiocarbamoylamino]carbamic acid methyl ester Formula: C13H16BrN3O4S MolecularWeight: 390.25284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NNC(=O)OC)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NC(=S)NNC(=O)OC)Br

InChI

InChI=1S/C13H16BrN3O4S/c1-3-8-4-5-10(9(14)6-8)21-7-11(18)15-12(22)16-17-13(19)20-2/h4-6H,3,7H2,1-2H3,(H,17,19)(H2,15,16,18,22)