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

Systemtic Name: 3,5-bis(bromanyl)-N-[[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 3,5-dibromo-N-[[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxy-benzamide CAS Name: 3,5-dibromo-N-[[[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 3,5-dibromo-N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxybenzamide Traditional Name: 3,5-dibromo-N-[[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-methoxy-benzamide Formula: C21H13Br3N4O3S MolecularWeight: 641.12992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CN=C4)Br)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=CN=C4)Br)Br)Br

InChI

InChI=1S/C21H13Br3N4O3S/c1-30-18-14(5-11(22)6-15(18)24)19(29)28-21(32)26-13-2-3-17-16(7-13)27-20(31-17)10-4-12(23)9-25-8-10/h2-9H,1H3,(H2,26,28,29,32)