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

Systemtic Name: N-[2-butoxy-3-[1-(4-cyanophenyl)ethylsulfanylcarbamoylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[2-butoxy-3-[1-(4-cyanophenyl)ethylsulfanylcarbamoylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[2-butoxy-3-[[[[1-(4-cyanophenyl)ethylthio]amino]-oxomethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[2-butoxy-3-[1-(4-cyanophenyl)ethylsulfanylcarbamoylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[2-butoxy-3-[[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=C1NC(=O)NSC(C)C2=CC=C(C=C2)C#N)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCCCOC1=C(C=CC=C1NC(=O)NSC(C)C2=CC=C(C=C2)C#N)NC(=O)C3=CC=CC=C3F

InChI

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