N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-morpholino-5-nitro-benzamide CAS Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[2-(methylthio)-1,3-benzothiazol-6-yl]-2-morpholino-5-nitro-benzamide Formula: C19H18N4O4S2 MolecularWeight: 430.50062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCOCC4

InChI

InChI=1S/C19H18N4O4S2/c1-28-19-21-15-4-2-12(10-17(15)29-19)20-18(24)14-11-13(23(25)26)3-5-16(14)22-6-8-27-9-7-22/h2-5,10-11H,6-9H2,1H3,(H,20,24)