N-[4-[2-[(4-butoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[2-[(4-butoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[2-(4-butoxyanilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]-2-fluoro-benzamide CAS Name: N-[4-[[2-(4-butoxyanilino)-2-oxo-1-phenylethyl]thio]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[2-(4-butoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-2-fluorobenzamide Traditional Name: N-[4-[[2-(4-butoxyanilino)-2-keto-1-phenyl-ethyl]thio]phenyl]-2-fluoro-benzamide Formula: C31H29FN2O3S MolecularWeight: 528.636963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C31H29FN2O3S/c1-2-3-21-37-25-17-13-23(14-18-25)34-31(36)29(22-9-5-4-6-10-22)38-26-19-15-24(16-20-26)33-30(35)27-11-7-8-12-28(27)32/h4-20,29H,2-3,21H2,1H3,(H,33,35)(H,34,36)