O-[4-nitro-2-(phenylcarbonyl)phenyl] N-(4-ethoxyphenyl)carbamothioate

Systemtic Name: O-[4-nitro-2-(phenylcarbonyl)phenyl] N-(4-ethoxyphenyl)carbamothioate Openeye Name: O-(2-benzoyl-4-nitro-phenyl) N-(4-ethoxyphenyl)carbamothioate CAS Name: N-(4-ethoxyphenyl)carbamothioic acid O-(2-benzoyl-4-nitrophenyl) ester IUPAC Name: O-(2-benzoyl-4-nitrophenyl) N-(4-ethoxyphenyl)carbamothioate Traditional Name: N-p-phenetylthiocarbamic acid O-(2-benzoyl-4-nitro-phenyl) ester Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)OC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H18N2O5S/c1-2-28-18-11-8-16(9-12-18)23-22(30)29-20-13-10-17(24(26)27)14-19(20)21(25)15-6-4-3-5-7-15/h3-14H,2H2,1H3,(H,23,30)