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

Systemtic Name: N-[4-[2-[(4-butoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanylphenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[2-(4-butoxyanilino)-2-oxo-ethyl]sulfanylphenyl]-2-fluoro-benzamide CAS Name: N-[4-[[2-(4-butoxyanilino)-2-oxoethyl]thio]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[2-(4-butoxyanilino)-2-oxoethyl]sulfanylphenyl]-2-fluorobenzamide Traditional Name: N-[4-[[2-(4-butoxyanilino)-2-keto-ethyl]thio]phenyl]-2-fluoro-benzamide Formula: C25H25FN2O3S MolecularWeight: 452.541003

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=CC=C(C=C2)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C25H25FN2O3S/c1-2-3-16-31-20-12-8-18(9-13-20)27-24(29)17-32-21-14-10-19(11-15-21)28-25(30)22-6-4-5-7-23(22)26/h4-15H,2-3,16-17H2,1H3,(H,27,29)(H,28,30)