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

Systemtic Name: N-[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-ethyl]sulfanylphenyl]-4-fluoranyl-benzamide Openeye Name: N-[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-ethyl]sulfanylphenyl]-4-fluoro-benzamide CAS Name: N-[4-[[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]thio]phenyl]-4-fluorobenzamide IUPAC Name: N-[4-[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl]sulfanylphenyl]-4-fluorobenzamide Traditional Name: N-[4-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-ethyl]thio]phenyl]-4-fluoro-benzamide Formula: C22H17FN2O4S MolecularWeight: 424.444783

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)CSC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H17FN2O4S/c23-15-3-1-14(2-4-15)22(27)25-16-5-8-18(9-6-16)30-12-21(26)24-17-7-10-19-20(11-17)29-13-28-19/h1-11H,12-13H2,(H,24,26)(H,25,27)