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

Systemtic Name: N-[(5-methoxy-2-oxidanyl-phenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(2-hydroxy-5-methoxy-phenyl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[(2-hydroxy-5-methoxyanilino)-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(2-hydroxy-5-methoxyphenyl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(2-hydroxy-5-methoxy-phenyl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C19H20N4O6S MolecularWeight: 432.4503

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

Isomeric SMILES

COC1=CC(=C(C=C1)O)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3

InChI

InChI=1S/C19H20N4O6S/c1-28-13-3-5-17(24)15(11-13)20-19(30)21-18(25)14-10-12(23(26)27)2-4-16(14)22-6-8-29-9-7-22/h2-5,10-11,24H,6-9H2,1H3,(H2,20,21,25,30)