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

Systemtic Name: O-(1-phenylpropan-2-yl) N-(4-nitrophenyl)carbamothioate Openeye Name: O-(1-methyl-2-phenyl-ethyl) N-(4-nitrophenyl)carbamothioate CAS Name: N-(4-nitrophenyl)carbamothioic acid O-(1-phenylpropan-2-yl) ester IUPAC Name: O-(1-phenylpropan-2-yl) N-(4-nitrophenyl)carbamothioate Traditional Name: N-(4-nitrophenyl)thiocarbamic acid O-(1-methyl-2-phenyl-ethyl) ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1)OC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(CC1=CC=CC=C1)OC(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O3S/c1-12(11-13-5-3-2-4-6-13)21-16(22)17-14-7-9-15(10-8-14)18(19)20/h2-10,12H,11H2,1H3,(H,17,22)