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

Systemtic Name: N-[[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methoxy-benzamide Openeye Name: N-[[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methoxy-benzamide CAS Name: N-[[[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-methoxybenzamide IUPAC Name: N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methoxybenzamide Traditional Name: N-[[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-methoxy-benzamide Formula: C21H15BrN4O3S MolecularWeight: 483.3378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15BrN4O3S/c1-28-16-4-2-3-12(8-16)19(27)26-21(30)24-15-5-6-18-17(9-15)25-20(29-18)13-7-14(22)11-23-10-13/h2-11H,1H3,(H2,24,26,27,30)