3-methoxy-N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]benzamide

Systemtic Name: 3-methoxy-N-[(4-morpholin-4-yl-3-nitro-phenyl)carbamothioyl]benzamide Openeye Name: 3-methoxy-N-[(4-morpholino-3-nitro-phenyl)carbamothioyl]benzamide CAS Name: 3-methoxy-N-[[4-(4-morpholinyl)-3-nitroanilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-methoxy-N-[(4-morpholin-4-yl-3-nitrophenyl)carbamothioyl]benzamide Traditional Name: 3-methoxy-N-[(4-morpholino-3-nitro-phenyl)thiocarbamoyl]benzamide Formula: C19H20N4O5S MolecularWeight: 416.4509

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

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