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

Systemtic Name: N-[[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-phenylmethoxy-benzamide Openeye Name: 3-benzyloxy-N-[[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: N-[[[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-phenylmethoxybenzamide IUPAC Name: N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-phenylmethoxybenzamide Traditional Name: 3-benzoxy-N-[[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C27H19BrN4O3S MolecularWeight: 559.43376

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H19BrN4O3S/c28-20-11-19(14-29-15-20)26-31-23-13-21(9-10-24(23)35-26)30-27(36)32-25(33)18-7-4-8-22(12-18)34-16-17-5-2-1-3-6-17/h1-15H,16H2,(H2,30,32,33,36)