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

Systemtic Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-phenylmethoxy-benzamide Openeye Name: 4-benzyloxy-N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: N-[[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-phenylmethoxybenzamide IUPAC Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-phenylmethoxybenzamide Traditional Name: 4-benzoxy-N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C28H20BrN3O3S MolecularWeight: 558.4457

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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=CC=CC=C5Br

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC=CC=C5Br

InChI

InChI=1S/C28H20BrN3O3S/c29-23-9-5-4-8-22(23)27-31-24-16-20(12-15-25(24)35-27)30-28(36)32-26(33)19-10-13-21(14-11-19)34-17-18-6-2-1-3-7-18/h1-16H,17H2,(H2,30,32,33,36)