N-[[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-phenylmethoxy-benzamide

Systemtic Name: N-[[2-(2-bromanyl-5-iodanyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: N-[[[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: N-[[2-(2-bromo-5-iodophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[[2-(2-bromo-5-iodo-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C28H19BrIN3O3S MolecularWeight: 684.34223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=C(C=CC(=C5)I)Br

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=C(C=CC(=C5)I)Br

InChI

InChI=1S/C28H19BrIN3O3S/c29-23-12-8-19(30)14-22(23)27-32-24-15-20(9-13-25(24)36-27)31-28(37)33-26(34)18-6-10-21(11-7-18)35-16-17-4-2-1-3-5-17/h1-15H,16H2,(H2,31,33,34,37)