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

Systemtic Name: N-[[2-(5-bromanylnaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitro-benzamide Openeye Name: N-[[2-(5-bromo-1-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitro-benzamide CAS Name: N-[[[2-(5-bromo-1-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-nitrobenzamide IUPAC Name: N-[[2-(5-bromonaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-nitrobenzamide Traditional Name: N-[[2-(5-bromo-1-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-nitro-benzamide Formula: C25H15BrN4O4S MolecularWeight: 547.38

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC=C2Br)C(=C1)C3=NC4=C(O3)C=CC(=C4)NC(=S)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC2=C(C=CC=C2Br)C(=C1)C3=NC4=C(O3)C=CC(=C4)NC(=S)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H15BrN4O4S/c26-20-6-2-3-17-18(20)4-1-5-19(17)24-28-21-13-15(9-12-22(21)34-24)27-25(35)29-23(31)14-7-10-16(11-8-14)30(32)33/h1-13H,(H2,27,29,31,35)