N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[4-(4-nitrophenyl)sulfanylphenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[4-(4-nitrophenyl)sulfanylphenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[4-(4-nitrophenyl)sulfanylphenyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[4-[(4-nitrophenyl)thio]phenyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N-[3-(1H-benzimidazol-2-yl)phenyl]-2-[4-(4-nitrophenyl)sulfanylphenyl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: N-[3-(1H-benzimidazol-2-yl)phenyl]-1,3-diketo-2-[4-[(4-nitrophenyl)thio]phenyl]isoindoline-5-carboxamide Formula: C34H21N5O5S MolecularWeight: 611.62604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)NC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)C6=CC=C(C=C6)SC7=CC=C(C=C7)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)NC(=O)C4=CC5=C(C=C4)C(=O)N(C5=O)C6=CC=C(C=C6)SC7=CC=C(C=C7)[N+](=O)[O-]

InChI

InChI=1S/C34H21N5O5S/c40-32(35-22-5-3-4-20(18-22)31-36-29-6-1-2-7-30(29)37-31)21-8-17-27-28(19-21)34(42)38(33(27)41)23-9-13-25(14-10-23)45-26-15-11-24(12-16-26)39(43)44/h1-19H,(H,35,40)(H,36,37)