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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCOC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCCOC(=S)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S/c22-16-14-4-1-2-5-15(14)17(23)20(16)10-3-11-26-18(27)19-12-6-8-13(9-7-12)21(24)25/h1-2,4-9H,3,10-11H2,(H,19,27)