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

Systemtic Name: N-[(4-fluoranyl-3-nitro-phenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(4-fluoro-3-nitro-phenyl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[(4-fluoro-3-nitroanilino)-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(4-fluoro-3-nitrophenyl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(4-fluoro-3-nitro-phenyl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C18H16FN5O6S MolecularWeight: 449.412943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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