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

Systemtic Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-4-fluoranyl-benzamide Openeye Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]-4-fluoro-benzamide CAS Name: N-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenylethyl]thio]phenyl]-4-fluorobenzamide IUPAC Name: N-[3-[2-(1,3-benzodioxol-5-ylamino)-2-oxo-1-phenylethyl]sulfanylphenyl]-4-fluorobenzamide Traditional Name: N-[3-[[2-(1,3-benzodioxol-5-ylamino)-2-keto-1-phenyl-ethyl]thio]phenyl]-4-fluoro-benzamide Formula: C28H21FN2O4S MolecularWeight: 500.540743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC(=C4)NC(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H21FN2O4S/c29-20-11-9-19(10-12-20)27(32)30-21-7-4-8-23(15-21)36-26(18-5-2-1-3-6-18)28(33)31-22-13-14-24-25(16-22)35-17-34-24/h1-16,26H,17H2,(H,30,32)(H,31,33)