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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=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

C1=CC=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/C25H15BrN4O4S/c26-19-9-4-6-15-16(19)7-3-8-17(15)24-28-20-13-14(11-12-22(20)34-24)27-25(35)29-23(31)18-5-1-2-10-21(18)30(32)33/h1-13H,(H2,27,29,31,35)