O-[(2-nitrophenyl)methyl] N-octylcarbamothioate

Systemtic Name: O-[(2-nitrophenyl)methyl] N-octylcarbamothioate Openeye Name: O-[(2-nitrophenyl)methyl] N-octylcarbamothioate CAS Name: N-octylcarbamothioic acid O-[(2-nitrophenyl)methyl] ester IUPAC Name: O-[(2-nitrophenyl)methyl] N-octylcarbamothioate Traditional Name: N-octylthiocarbamic acid O-(2-nitrobenzyl) ester Formula: C16H24N2O3S MolecularWeight: 324.43836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(=S)OCC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCNC(=S)OCC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C16H24N2O3S/c1-2-3-4-5-6-9-12-17-16(22)21-13-14-10-7-8-11-15(14)18(19)20/h7-8,10-11H,2-6,9,12-13H2,1H3,(H,17,22)