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

Systemtic Name: N-[3-[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]cyclohexanecarboxamide Openeye Name: N-[3-[2-(4-bromo-2-fluoro-anilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]cyclohexanecarboxamide CAS Name: N-[3-[[2-(4-bromo-2-fluoroanilino)-2-oxo-1-phenylethyl]thio]phenyl]cyclohexanecarboxamide IUPAC Name: N-[3-[2-(4-bromo-2-fluoroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]cyclohexanecarboxamide Traditional Name: N-[3-[[2-(4-bromo-2-fluoro-anilino)-2-keto-1-phenyl-ethyl]thio]phenyl]cyclohexanecarboxamide Formula: C27H26BrFN2O2S MolecularWeight: 541.474943

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC(=CC=C2)SC(C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C27H26BrFN2O2S/c28-20-14-15-24(23(29)16-20)31-27(33)25(18-8-3-1-4-9-18)34-22-13-7-12-21(17-22)30-26(32)19-10-5-2-6-11-19/h1,3-4,7-9,12-17,19,25H,2,5-6,10-11H2,(H,30,32)(H,31,33)