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

Systemtic Name: methyl N-[2-(4-bromanyl-2-methyl-phenoxy)ethanoylcarbamothioylamino]carbamate Openeye Name: methyl N-[[2-(4-bromo-2-methyl-phenoxy)acetyl]carbamothioylamino]carbamate CAS Name: N-[[[[2-(4-bromo-2-methylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(4-bromo-2-methylphenoxy)acetyl]carbamothioylamino]carbamate Traditional Name: N-[[2-(4-bromo-2-methyl-phenoxy)acetyl]thiocarbamoylamino]carbamic acid methyl ester Formula: C12H14BrN3O4S MolecularWeight: 376.22626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)OCC(=O)NC(=S)NNC(=O)OC

Isomeric SMILES

CC1=C(C=CC(=C1)Br)OCC(=O)NC(=S)NNC(=O)OC

InChI

InChI=1S/C12H14BrN3O4S/c1-7-5-8(13)3-4-9(7)20-6-10(17)14-11(21)15-16-12(18)19-2/h3-5H,6H2,1-2H3,(H,16,18)(H2,14,15,17,21)