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

Systemtic Name: O-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl] N-(3-bromophenyl)-N-thiophen-2-ylcarbonyl-carbamothioate Openeye Name: O-[2-(1,3-dioxoisoindolin-2-yl)ethyl] N-(3-bromophenyl)-N-(thiophene-2-carbonyl)carbamothioate CAS Name: N-(3-bromophenyl)-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-(3-bromophenyl)-N-(thiophene-2-carbonyl)carbamothioate Traditional Name: N-(3-bromophenyl)-N-(2-thenoyl)thiocarbamic acid O-(2-phthalimidoethyl) ester Formula: C22H15BrN2O4S2 MolecularWeight: 515.3995

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15BrN2O4S2/c23-14-5-3-6-15(13-14)25(21(28)18-9-4-12-31-18)22(30)29-11-10-24-19(26)16-7-1-2-8-17(16)20(24)27/h1-9,12-13H,10-11H2