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

Systemtic Name: 2-[4-(4-nitrophenyl)sulfanylphenyl]-1,3-bis(oxidanylidene)-N-(1-phenylethyl)isoindole-5-carboxamide Openeye Name: 2-[4-(4-nitrophenyl)sulfanylphenyl]-1,3-dioxo-N-(1-phenylethyl)isoindoline-5-carboxamide CAS Name: 2-[4-[(4-nitrophenyl)thio]phenyl]-1,3-dioxo-N-(1-phenylethyl)-5-isoindolecarboxamide IUPAC Name: 2-[4-(4-nitrophenyl)sulfanylphenyl]-1,3-dioxo-N-(1-phenylethyl)isoindole-5-carboxamide Traditional Name: 1,3-diketo-2-[4-[(4-nitrophenyl)thio]phenyl]-N-(1-phenylethyl)isoindoline-5-carboxamide Formula: C29H21N3O5S MolecularWeight: 523.55914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)SC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)SC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H21N3O5S/c1-18(19-5-3-2-4-6-19)30-27(33)20-7-16-25-26(17-20)29(35)31(28(25)34)21-8-12-23(13-9-21)38-24-14-10-22(11-15-24)32(36)37/h2-18H,1H3,(H,30,33)