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

Systemtic Name: N-[[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide Openeye Name: N-[[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methoxy-naphthalene-2-carboxamide CAS Name: N-[[[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-methoxy-2-naphthalenecarboxamide IUPAC Name: N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methoxynaphthalene-2-carboxamide Traditional Name: N-[[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-methoxy-2-naphthamide Formula: C25H17BrN4O3S MolecularWeight: 533.39648

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC(=CN=C5)Br

Isomeric SMILES

COC1=CC2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC(=CN=C5)Br

InChI

InChI=1S/C25H17BrN4O3S/c1-32-22-10-15-5-3-2-4-14(15)9-19(22)23(31)30-25(34)28-18-6-7-21-20(11-18)29-24(33-21)16-8-17(26)13-27-12-16/h2-13H,1H3,(H2,28,30,31,34)