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

Systemtic Name: 2-chloranyl-N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluoranyl-benzamide Openeye Name: 2-chloro-N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluoro-benzamide CAS Name: 2-chloro-N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-fluorobenzamide IUPAC Name: 2-chloro-N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-fluorobenzamide Traditional Name: 2-chloro-N-[[3-(5-ethyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-fluoro-benzamide Formula: C23H17ClFN3O2S MolecularWeight: 453.916383

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=C(C=C(C=C4)F)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=CC=C3)NC(=S)NC(=O)C4=C(C=C(C=C4)F)Cl

InChI

InChI=1S/C23H17ClFN3O2S/c1-2-13-6-9-20-19(10-13)27-22(30-20)14-4-3-5-16(11-14)26-23(31)28-21(29)17-8-7-15(25)12-18(17)24/h3-12H,2H2,1H3,(H2,26,28,29,31)