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

Systemtic Name: O-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl] N-(4-iodophenyl)-N-thiophen-2-ylcarbonyl-carbamothioate Openeye Name: O-[2-(1,3-dioxoisoindolin-2-yl)ethyl] N-(4-iodophenyl)-N-(thiophene-2-carbonyl)carbamothioate CAS Name: N-(4-iodophenyl)-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-iodophenyl)-N-(thiophene-2-carbonyl)carbamothioate Traditional Name: N-(4-iodophenyl)-N-(2-thenoyl)thiocarbamic acid O-(2-phthalimidoethyl) ester Formula: C22H15IN2O4S2 MolecularWeight: 562.39997

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=S)N(C3=CC=C(C=C3)I)C(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=S)N(C3=CC=C(C=C3)I)C(=O)C4=CC=CS4

InChI

InChI=1S/C22H15IN2O4S2/c23-14-7-9-15(10-8-14)25(21(28)18-6-3-13-31-18)22(30)29-12-11-24-19(26)16-4-1-2-5-17(16)20(24)27/h1-10,13H,11-12H2