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

Systemtic Name: N-[2-butoxy-4-[1-(4-cyanophenyl)ethylsulfanylcarbamoylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[2-butoxy-4-[1-(4-cyanophenyl)ethylsulfanylcarbamoylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[2-butoxy-4-[[[[1-(4-cyanophenyl)ethylthio]amino]-oxomethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[2-butoxy-4-[1-(4-cyanophenyl)ethylsulfanylcarbamoylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[2-butoxy-4-[[1-(4-cyanophenyl)ethylthio]carbamoylamino]phenyl]-2-fluoro-benzamide Formula: C27H27FN4O3S MolecularWeight: 506.591683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)NC(=O)NSC(C)C2=CC=C(C=C2)C#N)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)NC(=O)NSC(C)C2=CC=C(C=C2)C#N)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C27H27FN4O3S/c1-3-4-15-35-25-16-21(13-14-24(25)31-26(33)22-7-5-6-8-23(22)28)30-27(34)32-36-18(2)20-11-9-19(17-29)10-12-20/h5-14,16,18H,3-4,15H2,1-2H3,(H,31,33)(H2,30,32,34)