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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)C2=CC=C(C=C2)NC(=O)C3=C(C=CC(=C3)N4CCOCC4)[N+](=O)[O-]

InChI

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