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

Systemtic Name: 4-nitro-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 4-nitro-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 4-nitro-N-[[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-nitro-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 4-nitro-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C27H18N4O4S MolecularWeight: 494.52122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)NC(=S)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=C(O3)C=CC(=C4)NC(=S)NC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C27H18N4O4S/c32-25(19-10-13-22(14-11-19)31(33)34)30-27(36)28-21-12-15-24-23(16-21)29-26(35-24)20-8-6-18(7-9-20)17-4-2-1-3-5-17/h1-16H,(H2,28,30,32,36)