N-[4-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl]sulfanylphenyl]-2-fluoro-benzamide CAS Name: N-[4-[[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]thio]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]sulfanylphenyl]-2-fluorobenzamide Traditional Name: N-[4-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl]thio]phenyl]-2-fluoro-benzamide Formula: C23H19FN2O4S MolecularWeight: 438.471363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)SC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C23H19FN2O4S/c1-14(22(27)26-16-8-11-20-21(12-16)30-13-29-20)31-17-9-6-15(7-10-17)25-23(28)18-4-2-3-5-19(18)24/h2-12,14H,13H2,1H3,(H,25,28)(H,26,27)