4-[3-(6-nitro-4-oxidanylidene-1-phenyl-2H-quinazolin-3-yl)propoxy]-3-(phenylmethyl)-1,3-thiazolidine-2,5-dione

Systemtic Name: 4-[3-(6-nitro-4-oxidanylidene-1-phenyl-2H-quinazolin-3-yl)propoxy]-3-(phenylmethyl)-1,3-thiazolidine-2,5-dione Openeye Name: 3-benzyl-4-[3-(6-nitro-4-oxo-1-phenyl-2H-quinazolin-3-yl)propoxy]thiazolidine-2,5-dione CAS Name: 4-[3-(6-nitro-4-oxo-1-phenyl-2H-quinazolin-3-yl)propoxy]-3-(phenylmethyl)thiazolidine-2,5-dione IUPAC Name: 3-benzyl-4-[3-(6-nitro-4-oxo-1-phenyl-2H-quinazolin-3-yl)propoxy]-1,3-thiazolidine-2,5-dione Traditional Name: 3-benzyl-4-[3-(4-keto-6-nitro-1-phenyl-2H-quinazolin-3-yl)propoxy]thiazolidine-2,5-quinone Formula: C27H24N4O6S MolecularWeight: 532.56766

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Descriptors Computed from Structure

Canonical SMILES:

C1N(C(=O)C2=C(N1C3=CC=CC=C3)C=CC(=C2)[N+](=O)[O-])CCCOC4C(=O)SC(=O)N4CC5=CC=CC=C5

Isomeric SMILES

C1N(C(=O)C2=C(N1C3=CC=CC=C3)C=CC(=C2)[N+](=O)[O-])CCCOC4C(=O)SC(=O)N4CC5=CC=CC=C5

InChI

InChI=1S/C27H24N4O6S/c32-24-22-16-21(31(35)36)12-13-23(22)30(20-10-5-2-6-11-20)18-28(24)14-7-15-37-25-26(33)38-27(34)29(25)17-19-8-3-1-4-9-19/h1-6,8-13,16,25H,7,14-15,17-18H2