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

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

Click to see the large picture

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=CC=C4F

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)Cl)NC(=S)NC(=O)C4=CC=CC=C4F

InChI

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