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

Systemtic Name: O-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl] N-(4-nitrophenyl)carbamothioate Openeye Name: O-[2-(1,3-dioxoisoindolin-2-yl)propyl] N-(4-nitrophenyl)carbamothioate CAS Name: N-(4-nitrophenyl)carbamothioic acid O-[2-(1,3-dioxo-2-isoindolyl)propyl] ester IUPAC Name: O-[2-(1,3-dioxoisoindol-2-yl)propyl] N-(4-nitrophenyl)carbamothioate Traditional Name: N-(4-nitrophenyl)thiocarbamic acid O-(2-phthalimidopropyl) ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=S)NC1=CC=C(C=C1)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(COC(=S)NC1=CC=C(C=C1)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H15N3O5S/c1-11(20-16(22)14-4-2-3-5-15(14)17(20)23)10-26-18(27)19-12-6-8-13(9-7-12)21(24)25/h2-9,11H,10H2,1H3,(H,19,27)