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

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

Isomeric SMILES

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

InChI

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