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

Systemtic Name: O-[4-[(3-nitrophenyl)carbamoyl]phenyl] N-(4-ethoxyphenyl)carbamothioate Openeye Name: O-[4-[(3-nitrophenyl)carbamoyl]phenyl] N-(4-ethoxyphenyl)carbamothioate CAS Name: N-(4-ethoxyphenyl)carbamothioic acid O-[4-[(3-nitroanilino)-oxomethyl]phenyl] ester IUPAC Name: O-[4-[(3-nitrophenyl)carbamoyl]phenyl] N-(4-ethoxyphenyl)carbamothioate Traditional Name: N-p-phenetylthiocarbamic acid O-[4-[(3-nitrophenyl)carbamoyl]phenyl] ester Formula: C22H19N3O5S MolecularWeight: 437.46836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)OC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)OC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O5S/c1-2-29-19-12-8-16(9-13-19)24-22(31)30-20-10-6-15(7-11-20)21(26)23-17-4-3-5-18(14-17)25(27)28/h3-14H,2H2,1H3,(H,23,26)(H,24,31)