N-[3-[2-[(4-butoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[3-[2-[(4-butoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-2-fluoranyl-benzamide Openeye Name: N-[3-[2-(4-butoxyanilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]-2-fluoro-benzamide CAS Name: N-[3-[[2-(4-butoxyanilino)-2-oxo-1-phenylethyl]thio]phenyl]-2-fluorobenzamide IUPAC Name: N-[3-[2-(4-butoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-2-fluorobenzamide Traditional Name: N-[3-[[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=CC(=C3)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

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

InChI

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