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

Systemtic Name: N-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxy-benzamide Openeye Name: N-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxy-benzamide CAS Name: N-[[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: N-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxybenzamide Traditional Name: N-[[2-(4-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=C(C=C4)F

Isomeric SMILES

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

InChI

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