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

Systemtic Name: O-[4-[(3-nitrophenyl)carbamoyl]phenyl] N-(3-nitrophenyl)carbamothioate Openeye Name: O-[4-[(3-nitrophenyl)carbamoyl]phenyl] N-(3-nitrophenyl)carbamothioate CAS Name: N-(3-nitrophenyl)carbamothioic acid O-[4-[(3-nitroanilino)-oxomethyl]phenyl] ester IUPAC Name: O-[4-[(3-nitrophenyl)carbamoyl]phenyl] N-(3-nitrophenyl)carbamothioate Traditional Name: N-(3-nitrophenyl)thiocarbamic acid O-[4-[(3-nitrophenyl)carbamoyl]phenyl] ester Formula: C20H14N4O6S MolecularWeight: 438.41336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H14N4O6S/c25-19(21-14-3-1-5-16(11-14)23(26)27)13-7-9-18(10-8-13)30-20(31)22-15-4-2-6-17(12-15)24(28)29/h1-12H,(H,21,25)(H,22,31)