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

Systemtic Name: N-[[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: N-[[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide CAS Name: N-[[[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: N-[[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-1-naphthamide Formula: C24H15BrN4O2S MolecularWeight: 503.3705

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC(=CN=C5)Br

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC(=CN=C5)Br

InChI

InChI=1S/C24H15BrN4O2S/c25-16-10-15(12-26-13-16)23-28-20-11-17(8-9-21(20)31-23)27-24(32)29-22(30)19-7-3-5-14-4-1-2-6-18(14)19/h1-13H,(H2,27,29,30,32)