N-tert-butyl-2-[4-(4-nitrophenyl)sulfanylphenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: N-tert-butyl-2-[4-(4-nitrophenyl)sulfanylphenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-tert-butyl-2-[4-(4-nitrophenyl)sulfanylphenyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-tert-butyl-2-[4-[(4-nitrophenyl)thio]phenyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-tert-butyl-2-[4-(4-nitrophenyl)sulfanylphenyl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-tert-butyl-1,3-diketo-2-[4-[(4-nitrophenyl)thio]phenyl]isoindoline-5-carboxamide Formula: C25H21N3O5S MolecularWeight: 475.51634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)SC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)SC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H21N3O5S/c1-25(2,3)26-22(29)15-4-13-20-21(14-15)24(31)27(23(20)30)16-5-9-18(10-6-16)34-19-11-7-17(8-12-19)28(32)33/h4-14H,1-3H3,(H,26,29)