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

Systemtic Name: O-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl] N-(4-nitrophenyl)carbamothioate Openeye Name: O-[(1,3-dioxoisoindolin-2-yl)methyl] N-(4-nitrophenyl)carbamothioate CAS Name: N-(4-nitrophenyl)carbamothioic acid O-[(1,3-dioxo-2-isoindolyl)methyl] ester IUPAC Name: O-[(1,3-dioxoisoindol-2-yl)methyl] N-(4-nitrophenyl)carbamothioate Traditional Name: N-(4-nitrophenyl)thiocarbamic acid O-(phthalimidomethyl) ester Formula: C16H11N3O5S MolecularWeight: 357.34064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11N3O5S/c20-14-12-3-1-2-4-13(12)15(21)18(14)9-24-16(25)17-10-5-7-11(8-6-10)19(22)23/h1-8H,9H2,(H,17,25)