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

Systemtic Name: 3-bromanyl-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-methoxy-benzamide Formula: C22H15BrFN3O3S MolecularWeight: 500.340203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15BrFN3O3S/c1-29-18-8-4-13(10-16(18)23)20(28)27-22(31)25-15-7-9-19-17(11-15)26-21(30-19)12-2-5-14(24)6-3-12/h2-11H,1H3,(H2,25,27,28,31)