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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])C

InChI

InChI=1S/C22H22N4O4S/c1-14-3-4-16(11-15(14)2)18-13-31-22(23-18)24-21(27)17-5-6-19(20(12-17)26(28)29)25-7-9-30-10-8-25/h3-6,11-13H,7-10H2,1-2H3,(H,23,24,27)