O-[4-[(3-nitrophenyl)carbamoyl]phenyl] N-(4-iodophenyl)carbamothioate

Systemtic Name: O-[4-[(3-nitrophenyl)carbamoyl]phenyl] N-(4-iodophenyl)carbamothioate Openeye Name: O-[4-[(3-nitrophenyl)carbamoyl]phenyl] N-(4-iodophenyl)carbamothioate CAS Name: N-(4-iodophenyl)carbamothioic acid O-[4-[(3-nitroanilino)-oxomethyl]phenyl] ester IUPAC Name: O-[4-[(3-nitrophenyl)carbamoyl]phenyl] N-(4-iodophenyl)carbamothioate Traditional Name: N-(4-iodophenyl)thiocarbamic acid O-[4-[(3-nitrophenyl)carbamoyl]phenyl] ester Formula: C20H14IN3O4S MolecularWeight: 519.31233

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14IN3O4S/c21-14-6-8-15(9-7-14)23-20(29)28-18-10-4-13(5-11-18)19(25)22-16-2-1-3-17(12-16)24(26)27/h1-12H,(H,22,25)(H,23,29)