O-(1-phenoxypropan-2-yl) N-(3-nitrophenyl)carbonyl-N-phenyl-carbamothioate

Systemtic Name: O-(1-phenoxypropan-2-yl) N-(3-nitrophenyl)carbonyl-N-phenyl-carbamothioate Openeye Name: O-(1-methyl-2-phenoxy-ethyl) N-(3-nitrobenzoyl)-N-phenyl-carbamothioate CAS Name: N-[(3-nitrophenyl)-oxomethyl]-N-phenylcarbamothioic acid O-(1-phenoxypropan-2-yl) ester IUPAC Name: O-(1-phenoxypropan-2-yl) N-(3-nitrobenzoyl)-N-phenylcarbamothioate Traditional Name: N-(3-nitrobenzoyl)-N-phenyl-thiocarbamic acid O-(1-methyl-2-phenoxy-ethyl) ester Formula: C23H20N2O5S MolecularWeight: 436.4803

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=CC=C1)OC(=S)N(C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(COC1=CC=CC=C1)OC(=S)N(C2=CC=CC=C2)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O5S/c1-17(16-29-21-13-6-3-7-14-21)30-23(31)24(19-10-4-2-5-11-19)22(26)18-9-8-12-20(15-18)25(27)28/h2-15,17H,16H2,1H3