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

Systemtic Name: N,2-bis[4-(4-nitrophenyl)sulfanylphenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: N,2-bis[4-(4-nitrophenyl)sulfanylphenyl]-1,3-dioxo-isoindoline-5-carboxamide CAS Name: N,2-bis[4-[(4-nitrophenyl)thio]phenyl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: N,2-bis[4-(4-nitrophenyl)sulfanylphenyl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: 1,3-diketo-N,2-bis[4-[(4-nitrophenyl)thio]phenyl]isoindoline-5-carboxamide Formula: C33H20N4O7S2 MolecularWeight: 648.6645

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)SC5=CC=C(C=C5)[N+](=O)[O-])SC6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=C(C=C4)SC5=CC=C(C=C5)[N+](=O)[O-])SC6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C33H20N4O7S2/c38-31(34-21-2-10-25(11-3-21)45-27-14-6-23(7-15-27)36(41)42)20-1-18-29-30(19-20)33(40)35(32(29)39)22-4-12-26(13-5-22)46-28-16-8-24(9-17-28)37(43)44/h1-19H,(H,34,38)