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

Systemtic Name: O-[4-[(3-nitrophenyl)carbamoyl]phenyl] N-(4-methoxyphenyl)-N-methyl-carbamothioate Openeye Name: O-[4-[(3-nitrophenyl)carbamoyl]phenyl] N-(4-methoxyphenyl)-N-methyl-carbamothioate CAS Name: N-(4-methoxyphenyl)-N-methylcarbamothioic acid O-[4-[(3-nitroanilino)-oxomethyl]phenyl] ester IUPAC Name: O-[4-[(3-nitrophenyl)carbamoyl]phenyl] N-(4-methoxyphenyl)-N-methylcarbamothioate Traditional Name: N-(4-methoxyphenyl)-N-methyl-thiocarbamic acid O-[4-[(3-nitrophenyl)carbamoyl]phenyl] ester Formula: C22H19N3O5S MolecularWeight: 437.46836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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