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

Systemtic Name: N-[2-(cyanomethoxy)-4-[1-(4-cyanophenyl)ethylsulfanylcarbamoylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[2-(cyanomethoxy)-4-[1-(4-cyanophenyl)ethylsulfanylcarbamoylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[2-(cyanomethoxy)-4-[[[[1-(4-cyanophenyl)ethylthio]amino]-oxomethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[2-(cyanomethoxy)-4-[1-(4-cyanophenyl)ethylsulfanylcarbamoylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[2-(cyanomethoxy)-4-[[1-(4-cyanophenyl)ethylthio]carbamoylamino]phenyl]-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=CC(=C(C=C2)NC(=O)C3=CC=CC=C3F)OCC#N

Isomeric SMILES

CC(C1=CC=C(C=C1)C#N)SNC(=O)NC2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3F)OCC#N

InChI

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