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

Systemtic Name: N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: 2-morpholino-5-nitro-N-[4-(p-tolyl)thiazol-2-yl]benzamide CAS Name: N-[4-(4-methylphenyl)-2-thiazolyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: 2-morpholino-5-nitro-N-[4-(p-tolyl)thiazol-2-yl]benzamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O4S/c1-14-2-4-15(5-3-14)18-13-30-21(22-18)23-20(26)17-12-16(25(27)28)6-7-19(17)24-8-10-29-11-9-24/h2-7,12-13H,8-11H2,1H3,(H,22,23,26)