N-[3-(2-tert-butylsulfanylethanoylamino)-4-fluoranyl-phenyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[3-(2-tert-butylsulfanylethanoylamino)-4-fluoranyl-phenyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[3-[(2-tert-butylsulfanylacetyl)amino]-4-fluoro-phenyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[3-[[2-(tert-butylthio)-1-oxoethyl]amino]-4-fluorophenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[3-[(2-tert-butylsulfanylacetyl)amino]-4-fluorophenyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[3-[[2-(tert-butylthio)acetyl]amino]-4-fluoro-phenyl]-piperonylamide Formula: C20H21FN2O4S MolecularWeight: 404.455143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)F

Isomeric SMILES

CC(C)(C)SCC(=O)NC1=C(C=CC(=C1)NC(=O)C2=CC3=C(C=C2)OCO3)F

InChI

InChI=1S/C20H21FN2O4S/c1-20(2,3)28-10-18(24)23-15-9-13(5-6-14(15)21)22-19(25)12-4-7-16-17(8-12)27-11-26-16/h4-9H,10-11H2,1-3H3,(H,22,25)(H,23,24)