[4-ethoxy-2-[4-nitro-2-(phenylcarbonyl)phenyl]phenyl]carbamothioic S-acid

Systemtic Name: [4-ethoxy-2-[4-nitro-2-(phenylcarbonyl)phenyl]phenyl]carbamothioic S-acid Openeye Name: [2-(2-benzoyl-4-nitro-phenyl)-4-ethoxy-phenyl]carbamothioic S-acid CAS Name: [2-(2-benzoyl-4-nitrophenyl)-4-ethoxyphenyl]carbamothioic S-acid IUPAC Name: [2-(2-benzoyl-4-nitrophenyl)-4-ethoxyphenyl]carbamothioic S-acid Traditional Name: [2-(2-benzoyl-4-nitro-phenyl)-4-ethoxy-phenyl]thiocarbamic S-acid Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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