N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-ethanoyl-2-fluoranyl-phenyl)sulfanylethanoylamino]benzamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-ethanoyl-2-fluoranyl-phenyl)sulfanylethanoylamino]benzamide Openeye Name: 2-[[2-(4-acetyl-2-fluoro-phenyl)sulfanylacetyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)benzamide CAS Name: 2-[[2-[(4-acetyl-2-fluorophenyl)thio]-1-oxoethyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)benzamide IUPAC Name: 2-[[2-(4-acetyl-2-fluorophenyl)sulfanylacetyl]amino]-N-(1,3-benzodioxol-5-ylmethyl)benzamide Traditional Name: 2-[[2-[(4-acetyl-2-fluoro-phenyl)thio]acetyl]amino]-N-piperonyl-benzamide Formula: C25H21FN2O5S MolecularWeight: 480.508043

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)SCC(=O)NC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)SCC(=O)NC2=CC=CC=C2C(=O)NCC3=CC4=C(C=C3)OCO4)F

InChI

InChI=1S/C25H21FN2O5S/c1-15(29)17-7-9-23(19(26)11-17)34-13-24(30)28-20-5-3-2-4-18(20)25(31)27-12-16-6-8-21-22(10-16)33-14-32-21/h2-11H,12-14H2,1H3,(H,27,31)(H,28,30)