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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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