N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[4-(2,4-dimethylphenyl)thiazol-2-yl]-2-morpholino-5-nitro-benzamide CAS Name: N-[4-(2,4-dimethylphenyl)-2-thiazolyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[4-(2,4-dimethylphenyl)thiazol-2-yl]-2-morpholino-5-nitro-benzamide Formula: C22H22N4O4S MolecularWeight: 438.49948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4)C

InChI

InChI=1S/C22H22N4O4S/c1-14-3-5-17(15(2)11-14)19-13-31-22(23-19)24-21(27)18-12-16(26(28)29)4-6-20(18)25-7-9-30-10-8-25/h3-6,11-13H,7-10H2,1-2H3,(H,23,24,27)