(E)-N-[[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-phenyl-acrylamide Formula: C22H15BrN4O2S MolecularWeight: 479.3491

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H15BrN4O2S/c23-16-10-15(12-24-13-16)21-26-18-11-17(7-8-19(18)29-21)25-22(30)27-20(28)9-6-14-4-2-1-3-5-14/h1-13H,(H2,25,27,28,30)/b9-6+