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

Systemtic Name: [4-bromanyl-2-[4-nitro-2-(phenylcarbonyl)phenyl]phenyl]carbamothioic S-acid Openeye Name: [2-(2-benzoyl-4-nitro-phenyl)-4-bromo-phenyl]carbamothioic S-acid CAS Name: [2-(2-benzoyl-4-nitrophenyl)-4-bromophenyl]carbamothioic S-acid IUPAC Name: [2-(2-benzoyl-4-nitrophenyl)-4-bromophenyl]carbamothioic S-acid Traditional Name: [2-(2-benzoyl-4-nitro-phenyl)-4-bromo-phenyl]thiocarbamic S-acid 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-])C3=C(C=CC(=C3)Br)NC(=O)S

Isomeric SMILES

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

InChI

InChI=1S/C20H13BrN2O4S/c21-13-6-9-18(22-20(25)28)16(10-13)15-8-7-14(23(26)27)11-17(15)19(24)12-4-2-1-3-5-12/h1-11H,(H2,22,25,28)