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

Systemtic Name: N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[[4-(2-methylthiazol-4-yl)phenyl]methyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[[4-(2-methyl-4-thiazolyl)phenyl]methyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[[4-(2-methyl-1,3-thiazol-4-yl)phenyl]methyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[4-(2-methylthiazol-4-yl)benzyl]-4-morpholino-3-nitro-benzamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O4S/c1-15-24-19(14-31-15)17-4-2-16(3-5-17)13-23-22(27)18-6-7-20(21(12-18)26(28)29)25-8-10-30-11-9-25/h2-7,12,14H,8-11,13H2,1H3,(H,23,27)