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

Systemtic Name: N-[4-[2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[2-(3-chloro-4-methyl-anilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]-2-fluoro-benzamide CAS Name: N-[4-[[2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]thio]phenyl]-2-fluorobenzamide IUPAC Name: N-[4-[2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-2-fluorobenzamide Traditional Name: N-[4-[[2-(3-chloro-4-methyl-anilino)-2-keto-1-phenyl-ethyl]thio]phenyl]-2-fluoro-benzamide Formula: C28H22ClFN2O2S MolecularWeight: 505.002883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4F)Cl

InChI

InChI=1S/C28H22ClFN2O2S/c1-18-11-12-21(17-24(18)29)32-28(34)26(19-7-3-2-4-8-19)35-22-15-13-20(14-16-22)31-27(33)23-9-5-6-10-25(23)30/h2-17,26H,1H3,(H,31,33)(H,32,34)