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

Systemtic Name: 4-methoxy-3-nitro-N-[[2-(2-phenylquinolin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 4-methoxy-3-nitro-N-[[2-(2-phenyl-4-quinolyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 4-methoxy-3-nitro-N-[[[2-(2-phenyl-4-quinolinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-methoxy-3-nitro-N-[[2-(2-phenylquinolin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 4-methoxy-3-nitro-N-[[2-(2-phenyl-4-quinolyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C31H21N5O5S MolecularWeight: 575.59394

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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(=NC5=CC=CC=C54)C6=CC=CC=C6)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=NC5=CC=CC=C54)C6=CC=CC=C6)[N+](=O)[O-]

InChI

InChI=1S/C31H21N5O5S/c1-40-28-13-11-19(15-26(28)36(38)39)29(37)35-31(42)32-20-12-14-27-25(16-20)34-30(41-27)22-17-24(18-7-3-2-4-8-18)33-23-10-6-5-9-21(22)23/h2-17H,1H3,(H2,32,35,37,42)