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

Systemtic Name: 4-fluoranyl-N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 4-fluoro-N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 4-fluoro-N-[[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-fluoro-N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 4-fluoro-N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C22H16FN3O3S MolecularWeight: 421.444143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H16FN3O3S/c1-28-17-4-2-3-14(11-17)21-25-18-12-16(9-10-19(18)29-21)24-22(30)26-20(27)13-5-7-15(23)8-6-13/h2-12H,1H3,(H2,24,26,27,30)