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

Systemtic Name: O-[3-[(3-bromophenyl)carbamoyl]phenyl] N-(3-nitrophenyl)carbamothioate Openeye Name: O-[3-[(3-bromophenyl)carbamoyl]phenyl] N-(3-nitrophenyl)carbamothioate CAS Name: N-(3-nitrophenyl)carbamothioic acid O-[3-[(3-bromoanilino)-oxomethyl]phenyl] ester IUPAC Name: O-[3-[(3-bromophenyl)carbamoyl]phenyl] N-(3-nitrophenyl)carbamothioate Traditional Name: N-(3-nitrophenyl)thiocarbamic acid O-[3-[(3-bromophenyl)carbamoyl]phenyl] ester Formula: C20H14BrN3O4S MolecularWeight: 472.31186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC(=S)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=CC(=CC=C3)Br

Isomeric SMILES

C1=CC(=CC(=C1)OC(=S)NC2=CC(=CC=C2)[N+](=O)[O-])C(=O)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H14BrN3O4S/c21-14-5-2-6-15(11-14)22-19(25)13-4-1-9-18(10-13)28-20(29)23-16-7-3-8-17(12-16)24(26)27/h1-12H,(H,22,25)(H,23,29)