N-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(2,2-dimethylpropanoylamino)phenyl]sulfanylmethyl]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(2,2-dimethylpropanoylamino)phenyl]sulfanylmethyl]benzamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(2,2-dimethylpropanoylamino)phenyl]sulfanylmethyl]benzamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[[2-[(2,2-dimethyl-1-oxopropyl)amino]phenyl]thio]methyl]benzamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[[2-(2,2-dimethylpropanoylamino)phenyl]sulfanylmethyl]benzamide Traditional Name: N-piperonyl-3-[[[2-(pivaloylamino)phenyl]thio]methyl]benzamide Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC1=CC=CC=C1SCC2=CC=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)C(=O)NC1=CC=CC=C1SCC2=CC=CC(=C2)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C27H28N2O4S/c1-27(2,3)26(31)29-21-9-4-5-10-24(21)34-16-19-7-6-8-20(13-19)25(30)28-15-18-11-12-22-23(14-18)33-17-32-22/h4-14H,15-17H2,1-3H3,(H,28,30)(H,29,31)