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

Systemtic Name: N-[(4-methyl-2-oxidanyl-phenyl)carbamothioyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[(2-hydroxy-4-methyl-phenyl)carbamothioyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[(2-hydroxy-4-methylanilino)-sulfanylidenemethyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[(2-hydroxy-4-methylphenyl)carbamothioyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[(2-hydroxy-4-methyl-phenyl)thiocarbamoyl]-2-morpholino-5-nitro-benzamide Formula: C19H20N4O5S MolecularWeight: 416.4509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)O

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCOCC3)O

InChI

InChI=1S/C19H20N4O5S/c1-12-2-4-15(17(24)10-12)20-19(29)21-18(25)14-11-13(23(26)27)3-5-16(14)22-6-8-28-9-7-22/h2-5,10-11,24H,6-9H2,1H3,(H2,20,21,25,29)