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

Systemtic Name: 2-morpholin-4-yl-5-nitro-N-[[2-(2-phenylquinolin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 2-morpholino-5-nitro-N-[[2-(2-phenyl-4-quinolyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 2-(4-morpholinyl)-5-nitro-N-[[[2-(2-phenyl-4-quinolinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-morpholin-4-yl-5-nitro-N-[[2-(2-phenylquinolin-4-yl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 2-morpholino-5-nitro-N-[[2-(2-phenyl-4-quinolyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C34H26N6O5S MolecularWeight: 630.67244

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC(=NC6=CC=CC=C65)C7=CC=CC=C7

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC(=NC6=CC=CC=C65)C7=CC=CC=C7

InChI

InChI=1S/C34H26N6O5S/c41-32(26-19-23(40(42)43)11-12-30(26)39-14-16-44-17-15-39)38-34(46)35-22-10-13-31-29(18-22)37-33(45-31)25-20-28(21-6-2-1-3-7-21)36-27-9-5-4-8-24(25)27/h1-13,18-20H,14-17H2,(H2,35,38,41,46)