5-(2,2-dimethylpropanoylamino)-N1,N3-bis[4-(4-nitrophenyl)sulfanylphenyl]benzene-1,3-dicarboxamide

Systemtic Name: 5-(2,2-dimethylpropanoylamino)-N1,N3-bis[4-(4-nitrophenyl)sulfanylphenyl]benzene-1,3-dicarboxamide Openeye Name: 5-(2,2-dimethylpropanoylamino)-N1,N3-bis[4-(4-nitrophenyl)sulfanylphenyl]benzene-1,3-dicarboxamide CAS Name: 5-[(2,2-dimethyl-1-oxopropyl)amino]-N1,N3-bis[4-[(4-nitrophenyl)thio]phenyl]benzene-1,3-dicarboxamide IUPAC Name: 5-(2,2-dimethylpropanoylamino)-1-N,3-N-bis[4-(4-nitrophenyl)sulfanylphenyl]benzene-1,3-dicarboxamide Traditional Name: N,N'-bis[4-[(4-nitrophenyl)thio]phenyl]-5-(pivaloylamino)isophthalamide Formula: C37H31N5O7S2 MolecularWeight: 721.80134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)SC5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)SC3=CC=C(C=C3)[N+](=O)[O-])C(=O)NC4=CC=C(C=C4)SC5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C37H31N5O7S2/c1-37(2,3)36(45)40-27-21-23(34(43)38-25-4-12-30(13-5-25)50-32-16-8-28(9-17-32)41(46)47)20-24(22-27)35(44)39-26-6-14-31(15-7-26)51-33-18-10-29(11-19-33)42(48)49/h4-22H,1-3H3,(H,38,43)(H,39,44)(H,40,45)