2-chloranyl-N-[[5-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-fluoranyl-benzamide

Systemtic Name: 2-chloranyl-N-[[5-(5-chloranyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: 2-chloro-N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-4-fluoro-benzamide CAS Name: 2-chloro-N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: 2-chloro-N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-4-fluorobenzamide Traditional Name: 2-chloro-N-[[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-4-fluoro-benzamide Formula: C22H14Cl2FN3O2S MolecularWeight: 474.334863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl)NC(=S)NC(=O)C4=C(C=C(C=C4)F)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)Cl)NC(=S)NC(=O)C4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C22H14Cl2FN3O2S/c1-11-2-3-12(21-26-18-9-13(23)4-7-19(18)30-21)8-17(11)27-22(31)28-20(29)15-6-5-14(25)10-16(15)24/h2-10H,1H3,(H2,27,28,29,31)