2-morpholin-4-yl-5-nitro-N-[[3-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]benzamide

Systemtic Name: 2-morpholin-4-yl-5-nitro-N-[[3-(2-oxidanylidenechromen-3-yl)phenyl]carbamothioyl]benzamide Openeye Name: 2-morpholino-5-nitro-N-[[3-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide CAS Name: 2-(4-morpholinyl)-5-nitro-N-[[3-(2-oxo-1-benzopyran-3-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 2-morpholin-4-yl-5-nitro-N-[[3-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide Traditional Name: N-[[3-(2-ketochromen-3-yl)phenyl]thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C27H22N4O6S MolecularWeight: 530.55178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC(=S)NC3=CC=CC(=C3)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C27H22N4O6S/c32-25(22-16-20(31(34)35)8-9-23(22)30-10-12-36-13-11-30)29-27(38)28-19-6-3-5-17(14-19)21-15-18-4-1-2-7-24(18)37-26(21)33/h1-9,14-16H,10-13H2,(H2,28,29,32,38)