O-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl] N-(4-nitrophenyl)-N-thiophen-2-ylcarbonyl-carbamothioate

Systemtic Name: O-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl] N-(4-nitrophenyl)-N-thiophen-2-ylcarbonyl-carbamothioate Openeye Name: O-[2-(1,3-dioxoisoindolin-2-yl)ethyl] N-(4-nitrophenyl)-N-(thiophene-2-carbonyl)carbamothioate CAS Name: N-(4-nitrophenyl)-N-[oxo(thiophen-2-yl)methyl]carbamothioic acid O-[2-(1,3-dioxo-2-isoindolyl)ethyl] ester IUPAC Name: O-[2-(1,3-dioxoisoindol-2-yl)ethyl] N-(4-nitrophenyl)-N-(thiophene-2-carbonyl)carbamothioate Traditional Name: N-(4-nitrophenyl)-N-(2-thenoyl)thiocarbamic acid O-(2-phthalimidoethyl) ester Formula: C22H15N3O6S2 MolecularWeight: 481.501

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=S)N(C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=S)N(C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CS4

InChI

InChI=1S/C22H15N3O6S2/c26-19-16-4-1-2-5-17(16)20(27)23(19)11-12-31-22(32)24(21(28)18-6-3-13-33-18)14-7-9-15(10-8-14)25(29)30/h1-10,13H,11-12H2