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

Systemtic Name: N-[[2-chloranyl-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[2-chloro-5-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-fluoro-benzamide Formula: C22H15ClFN3O2S MolecularWeight: 439.889803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H15ClFN3O2S/c1-12-2-9-19-18(10-12)25-21(29-19)14-5-8-16(23)17(11-14)26-22(30)27-20(28)13-3-6-15(24)7-4-13/h2-11H,1H3,(H2,26,27,28,30)