3-[2-(cyanomethoxy)phenyl]-4-[1-(4-cyanophenyl)ethylsulfanylcarbamoylamino]-2-fluoranyl-benzamide

Systemtic Name: 3-[2-(cyanomethoxy)phenyl]-4-[1-(4-cyanophenyl)ethylsulfanylcarbamoylamino]-2-fluoranyl-benzamide Openeye Name: 3-[2-(cyanomethoxy)phenyl]-4-[1-(4-cyanophenyl)ethylsulfanylcarbamoylamino]-2-fluoro-benzamide CAS Name: 3-[2-(cyanomethoxy)phenyl]-4-[[[[1-(4-cyanophenyl)ethylthio]amino]-oxomethyl]amino]-2-fluorobenzamide IUPAC Name: 3-[2-(cyanomethoxy)phenyl]-4-[1-(4-cyanophenyl)ethylsulfanylcarbamoylamino]-2-fluorobenzamide Traditional Name: 3-[2-(cyanomethoxy)phenyl]-4-[[1-(4-cyanophenyl)ethylthio]carbamoylamino]-2-fluoro-benzamide Formula: C25H20FN5O3S MolecularWeight: 489.521403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)C#N)SNC(=O)NC2=C(C(=C(C=C2)C(=O)N)F)C3=CC=CC=C3OCC#N

Isomeric SMILES

CC(C1=CC=C(C=C1)C#N)SNC(=O)NC2=C(C(=C(C=C2)C(=O)N)F)C3=CC=CC=C3OCC#N

InChI

InChI=1S/C25H20FN5O3S/c1-15(17-8-6-16(14-28)7-9-17)35-31-25(33)30-20-11-10-19(24(29)32)23(26)22(20)18-4-2-3-5-21(18)34-13-12-27/h2-11,15H,13H2,1H3,(H2,29,32)(H2,30,31,33)