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

Systemtic Name: N-[[2-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: N-[[2-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluoro-benzamide CAS Name: N-[[2-(1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: N-[[2-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide Traditional Name: N-[[2-(1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-fluoro-benzamide Formula: C21H14FN3O2S MolecularWeight: 391.418163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3O2)NC(=S)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H14FN3O2S/c22-14-11-9-13(10-12-14)19(26)25-21(28)24-16-6-2-1-5-15(16)20-23-17-7-3-4-8-18(17)27-20/h1-12H,(H2,24,25,26,28)