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

Systemtic Name: N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[4-(4-methylsulfanylphenyl)thiazol-2-yl]-2-morpholino-5-nitro-benzamide CAS Name: N-[4-[4-(methylthio)phenyl]-2-thiazolyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[4-(4-methylsulfanylphenyl)-1,3-thiazol-2-yl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[4-[4-(methylthio)phenyl]thiazol-2-yl]-2-morpholino-5-nitro-benzamide Formula: C21H20N4O4S2 MolecularWeight: 456.5379

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C21H20N4O4S2/c1-30-16-5-2-14(3-6-16)18-13-31-21(22-18)23-20(26)17-12-15(25(27)28)4-7-19(17)24-8-10-29-11-9-24/h2-7,12-13H,8-11H2,1H3,(H,22,23,26)