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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4F

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4F

InChI

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