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

Systemtic Name: O-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl] N-(4-chlorophenyl)-N-(3-nitrophenyl)carbonyl-carbamothioate Openeye Name: O-[2-(1,3-dioxoisoindolin-2-yl)propyl] N-(4-chlorophenyl)-N-(3-nitrobenzoyl)carbamothioate CAS Name: N-(4-chlorophenyl)-N-[(3-nitrophenyl)-oxomethyl]carbamothioic acid O-[2-(1,3-dioxo-2-isoindolyl)propyl] ester IUPAC Name: O-[2-(1,3-dioxoisoindol-2-yl)propyl] N-(4-chlorophenyl)-N-(3-nitrobenzoyl)carbamothioate Traditional Name: N-(4-chlorophenyl)-N-(3-nitrobenzoyl)thiocarbamic acid O-(2-phthalimidopropyl) ester Formula: C25H18ClN3O6S MolecularWeight: 523.94492

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC(=S)N(C1=CC=C(C=C1)Cl)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(COC(=S)N(C1=CC=C(C=C1)Cl)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H18ClN3O6S/c1-15(27-23(31)20-7-2-3-8-21(20)24(27)32)14-35-25(36)28(18-11-9-17(26)10-12-18)22(30)16-5-4-6-19(13-16)29(33)34/h2-13,15H,14H2,1H3