O-[(4-nitrophenyl)methyl] N-butylcarbamothioate

Systemtic Name: O-[(4-nitrophenyl)methyl] N-butylcarbamothioate Openeye Name: O-[(4-nitrophenyl)methyl] N-butylcarbamothioate CAS Name: N-butylcarbamothioic acid O-[(4-nitrophenyl)methyl] ester IUPAC Name: O-[(4-nitrophenyl)methyl] N-butylcarbamothioate Traditional Name: N-butylthiocarbamic acid O-(4-nitrobenzyl) ester Formula: C12H16N2O3S MolecularWeight: 268.33204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O3S/c1-2-3-8-13-12(18)17-9-10-4-6-11(7-5-10)14(15)16/h4-7H,2-3,8-9H2,1H3,(H,13,18)