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

Systemtic Name: O-(1-phenoxypropan-2-yl) N-(4-nitrophenyl)-N-thiophen-2-ylcarbonyl-carbamothioate Openeye Name: O-(1-methyl-2-phenoxy-ethyl) N-(4-nitrophenyl)-N-(thiophene-2-carbonyl)carbamothioate CAS Name: N-(4-nitrophenyl)-N-[oxo(thiophen-2-yl)methyl]carbamothioic acid O-(1-phenoxypropan-2-yl) ester IUPAC Name: O-(1-phenoxypropan-2-yl) N-(4-nitrophenyl)-N-(thiophene-2-carbonyl)carbamothioate Traditional Name: N-(4-nitrophenyl)-N-(2-thenoyl)thiocarbamic acid O-(1-methyl-2-phenoxy-ethyl) ester Formula: C21H18N2O5S2 MolecularWeight: 442.50802

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC1=CC=CC=C1)OC(=S)N(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CS3

Isomeric SMILES

CC(COC1=CC=CC=C1)OC(=S)N(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CS3

InChI

InChI=1S/C21H18N2O5S2/c1-15(14-27-18-6-3-2-4-7-18)28-21(29)22(20(24)19-8-5-13-30-19)16-9-11-17(12-10-16)23(25)26/h2-13,15H,14H2,1H3