N-[[2-(5-bromanylnaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[[2-(5-bromanylnaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[[2-(5-bromo-1-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[[[2-(5-bromo-1-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[[2-(5-bromonaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[[2-(5-bromo-1-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-methoxy-3-nitro-benzamide Formula: C26H17BrN4O5S MolecularWeight: 577.40598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC5=C4C=CC=C5Br)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC5=C4C=CC=C5Br)[N+](=O)[O-]

InChI

InChI=1S/C26H17BrN4O5S/c1-35-23-10-8-14(12-21(23)31(33)34)24(32)30-26(37)28-15-9-11-22-20(13-15)29-25(36-22)18-6-2-5-17-16(18)4-3-7-19(17)27/h2-13H,1H3,(H2,28,30,32,37)