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

Systemtic Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[4-(4-acetamidophenyl)thiazol-2-yl]-2-morpholino-5-nitro-benzamide CAS Name: N-[4-(4-acetamidophenyl)-2-thiazolyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[4-(4-acetamidophenyl)thiazol-2-yl]-2-morpholino-5-nitro-benzamide Formula: C22H21N5O5S MolecularWeight: 467.49764

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C22H21N5O5S/c1-14(28)23-16-4-2-15(3-5-16)19-13-33-22(24-19)25-21(29)18-12-17(27(30)31)6-7-20(18)26-8-10-32-11-9-26/h2-7,12-13H,8-11H2,1H3,(H,23,28)(H,24,25,29)