N-(5-ethanoyl-4-phenyl-1,3-thiazol-2-yl)-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-(5-ethanoyl-4-phenyl-1,3-thiazol-2-yl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(5-acetyl-4-phenyl-thiazol-2-yl)-4-morpholino-3-nitro-benzamide CAS Name: N-(5-acetyl-4-phenyl-2-thiazolyl)-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(5-acetyl-4-phenyl-1,3-thiazol-2-yl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(5-acetyl-4-phenyl-thiazol-2-yl)-4-morpholino-3-nitro-benzamide Formula: C22H20N4O5S MolecularWeight: 452.483

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(N=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=C(N=C(S1)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O5S/c1-14(27)20-19(15-5-3-2-4-6-15)23-22(32-20)24-21(28)16-7-8-17(18(13-16)26(29)30)25-9-11-31-12-10-25/h2-8,13H,9-12H2,1H3,(H,23,24,28)