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

Systemtic Name: O-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl] N-(4-cyanophenyl)carbamothioate Openeye Name: O-[2-(1,3-dioxoisoindolin-2-yl)ethyl] N-(4-cyanophenyl)carbamothioate CAS Name: N-(4-cyanophenyl)carbamothioic acid O-[2-(1,3-dioxo-2-isoindolyl)ethyl] ester IUPAC Name: O-[2-(1,3-dioxoisoindol-2-yl)ethyl] N-(4-cyanophenyl)carbamothioate Traditional Name: N-(4-cyanophenyl)thiocarbamic acid O-(2-phthalimidoethyl) ester Formula: C18H13N3O3S MolecularWeight: 351.37912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=S)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCOC(=S)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H13N3O3S/c19-11-12-5-7-13(8-6-12)20-18(25)24-10-9-21-16(22)14-3-1-2-4-15(14)17(21)23/h1-8H,9-10H2,(H,20,25)