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

Systemtic Name: 2-methoxy-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-5-nitro-benzamide Openeye Name: 2-methoxy-N-[4-(2-morpholinothiazol-4-yl)phenyl]-5-nitro-benzamide CAS Name: 2-methoxy-N-[4-[2-(4-morpholinyl)-4-thiazolyl]phenyl]-5-nitrobenzamide IUPAC Name: 2-methoxy-N-[4-(2-morpholin-4-yl-1,3-thiazol-4-yl)phenyl]-5-nitrobenzamide Traditional Name: 2-methoxy-N-[4-(2-morpholinothiazol-4-yl)phenyl]-5-nitro-benzamide Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4CCOCC4

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N4CCOCC4

InChI

InChI=1S/C21H20N4O5S/c1-29-19-7-6-16(25(27)28)12-17(19)20(26)22-15-4-2-14(3-5-15)18-13-31-21(23-18)24-8-10-30-11-9-24/h2-7,12-13H,8-11H2,1H3,(H,22,26)