3,5-bis(2,2-dimethylpropanoylamino)-N-[4-(4-nitrophenyl)sulfanylphenyl]benzamide

Systemtic Name: 3,5-bis(2,2-dimethylpropanoylamino)-N-[4-(4-nitrophenyl)sulfanylphenyl]benzamide Openeye Name: 3,5-bis(2,2-dimethylpropanoylamino)-N-[4-(4-nitrophenyl)sulfanylphenyl]benzamide CAS Name: 3,5-bis[(2,2-dimethyl-1-oxopropyl)amino]-N-[4-[(4-nitrophenyl)thio]phenyl]benzamide IUPAC Name: 3,5-bis(2,2-dimethylpropanoylamino)-N-[4-(4-nitrophenyl)sulfanylphenyl]benzamide Traditional Name: N-[4-[(4-nitrophenyl)thio]phenyl]-3,5-bis(pivaloylamino)benzamide Formula: C29H32N4O5S MolecularWeight: 548.65318

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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-])NC(=O)C(C)(C)C

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-])NC(=O)C(C)(C)C

InChI

InChI=1S/C29H32N4O5S/c1-28(2,3)26(35)31-20-15-18(16-21(17-20)32-27(36)29(4,5)6)25(34)30-19-7-11-23(12-8-19)39-24-13-9-22(10-14-24)33(37)38/h7-17H,1-6H3,(H,30,34)(H,31,35)(H,32,36)