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

Systemtic Name: O-[4-nitro-2-(phenylcarbonyl)phenyl] N-(4-bromophenyl)carbamothioate Openeye Name: O-(2-benzoyl-4-nitro-phenyl) N-(4-bromophenyl)carbamothioate CAS Name: N-(4-bromophenyl)carbamothioic acid O-(2-benzoyl-4-nitrophenyl) ester IUPAC Name: O-(2-benzoyl-4-nitrophenyl) N-(4-bromophenyl)carbamothioate Traditional Name: N-(4-bromophenyl)thiocarbamic acid O-(2-benzoyl-4-nitro-phenyl) ester Formula: C20H13BrN2O4S MolecularWeight: 457.29722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC(=S)NC3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)[N+](=O)[O-])OC(=S)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H13BrN2O4S/c21-14-6-8-15(9-7-14)22-20(28)27-18-11-10-16(23(25)26)12-17(18)19(24)13-4-2-1-3-5-13/h1-12H,(H,22,28)