methyl N-[2-(4-nitrophenoxy)ethanoylcarbamothioylamino]carbamate

Systemtic Name: methyl N-[2-(4-nitrophenoxy)ethanoylcarbamothioylamino]carbamate Openeye Name: methyl N-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]carbamate CAS Name: N-[[[[2-(4-nitrophenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]carbamic acid methyl ester IUPAC Name: methyl N-[[2-(4-nitrophenoxy)acetyl]carbamothioylamino]carbamate Traditional Name: N-[[2-(4-nitrophenoxy)acetyl]thiocarbamoylamino]carbamic acid methyl ester Formula: C11H12N4O6S MolecularWeight: 328.30118

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NNC(=S)NC(=O)COC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)NNC(=S)NC(=O)COC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O6S/c1-20-11(17)14-13-10(22)12-9(16)6-21-8-4-2-7(3-5-8)15(18)19/h2-5H,6H2,1H3,(H,14,17)(H2,12,13,16,22)