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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

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