N-[[3-chloranyl-2,5-dimethyl-4-(2-phenylphenoxy)phenyl]carbamothioyl]-2-fluoranyl-benzamide

Systemtic Name: N-[[3-chloranyl-2,5-dimethyl-4-(2-phenylphenoxy)phenyl]carbamothioyl]-2-fluoranyl-benzamide Openeye Name: N-[[3-chloro-2,5-dimethyl-4-(2-phenylphenoxy)phenyl]carbamothioyl]-2-fluoro-benzamide CAS Name: N-[[3-chloro-2,5-dimethyl-4-(2-phenylphenoxy)anilino]-sulfanylidenemethyl]-2-fluorobenzamide IUPAC Name: N-[[3-chloro-2,5-dimethyl-4-(2-phenylphenoxy)phenyl]carbamothioyl]-2-fluorobenzamide Traditional Name: N-[[3-chloro-2,5-dimethyl-4-(2-phenylphenoxy)phenyl]thiocarbamoyl]-2-fluoro-benzamide Formula: C28H22ClFN2O2S MolecularWeight: 505.002883

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1OC2=CC=CC=C2C3=CC=CC=C3)Cl)C)NC(=S)NC(=O)C4=CC=CC=C4F

Isomeric SMILES

CC1=CC(=C(C(=C1OC2=CC=CC=C2C3=CC=CC=C3)Cl)C)NC(=S)NC(=O)C4=CC=CC=C4F

InChI

InChI=1S/C28H22ClFN2O2S/c1-17-16-23(31-28(35)32-27(33)21-13-6-8-14-22(21)30)18(2)25(29)26(17)34-24-15-9-7-12-20(24)19-10-4-3-5-11-19/h3-16H,1-2H3,(H2,31,32,33,35)