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

Systemtic Name: N-[2-butoxy-4-[1-(4-fluorophenyl)ethylsulfanylcarbamoylamino]phenyl]-2-fluoranyl-benzamide Openeye Name: N-[2-butoxy-4-[1-(4-fluorophenyl)ethylsulfanylcarbamoylamino]phenyl]-2-fluoro-benzamide CAS Name: N-[2-butoxy-4-[[[[1-(4-fluorophenyl)ethylthio]amino]-oxomethyl]amino]phenyl]-2-fluorobenzamide IUPAC Name: N-[2-butoxy-4-[1-(4-fluorophenyl)ethylsulfanylcarbamoylamino]phenyl]-2-fluorobenzamide Traditional Name: N-[2-butoxy-4-[[1-(4-fluorophenyl)ethylthio]carbamoylamino]phenyl]-2-fluoro-benzamide Formula: C26H27F2N3O3S MolecularWeight: 499.572686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27F2N3O3S/c1-3-4-15-34-24-16-20(13-14-23(24)30-25(32)21-7-5-6-8-22(21)28)29-26(33)31-35-17(2)18-9-11-19(27)12-10-18/h5-14,16-17H,3-4,15H2,1-2H3,(H,30,32)(H2,29,31,33)