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

Systemtic Name: N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[4-(4-ethylphenyl)thiazol-2-yl]-2-morpholino-5-nitro-benzamide CAS Name: N-[4-(4-ethylphenyl)-2-thiazolyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[4-(4-ethylphenyl)thiazol-2-yl]-2-morpholino-5-nitro-benzamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

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