O-(1-phenoxypropan-2-yl) N-(4-nitrophenyl)carbamothioate

Systemtic Name: O-(1-phenoxypropan-2-yl) N-(4-nitrophenyl)carbamothioate Openeye Name: O-(1-methyl-2-phenoxy-ethyl) N-(4-nitrophenyl)carbamothioate CAS Name: N-(4-nitrophenyl)carbamothioic acid O-(1-phenoxypropan-2-yl) ester IUPAC Name: O-(1-phenoxypropan-2-yl) N-(4-nitrophenyl)carbamothioate Traditional Name: N-(4-nitrophenyl)thiocarbamic acid O-(1-methyl-2-phenoxy-ethyl) ester Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=CC=C1)OC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(COC1=CC=CC=C1)OC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O4S/c1-12(11-21-15-5-3-2-4-6-15)22-16(23)17-13-7-9-14(10-8-13)18(19)20/h2-10,12H,11H2,1H3,(H,17,23)