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

Systemtic Name: N-[(2-fluoranyl-5-nitro-phenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(2-fluoro-5-nitro-phenyl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[(2-fluoro-5-nitroanilino)-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(2-fluoro-5-nitrophenyl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(2-fluoro-5-nitro-phenyl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C18H16FN5O6S MolecularWeight: 449.412943

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=C(C=CC(=C3)[N+](=O)[O-])F

Isomeric SMILES

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

InChI

InChI=1S/C18H16FN5O6S/c19-14-3-1-12(24(28)29)10-15(14)20-18(31)21-17(25)13-9-11(23(26)27)2-4-16(13)22-5-7-30-8-6-22/h1-4,9-10H,5-8H2,(H2,20,21,25,31)