N-(4,6-dimethyl-2-morpholin-4-ylcarbonyl-thieno[2,3-b]pyridin-3-yl)-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-(4,6-dimethyl-2-morpholin-4-ylcarbonyl-thieno[2,3-b]pyridin-3-yl)-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[4,6-dimethyl-2-[4-morpholinyl(oxo)methyl]-3-thieno[2,3-b]pyridinyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-4-(methylthio)-3-nitro-benzamide Formula: C22H22N4O5S2 MolecularWeight: 486.56388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C(=C(S2)C(=O)N3CCOCC3)NC(=O)C4=CC(=C(C=C4)SC)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC2=C1C(=C(S2)C(=O)N3CCOCC3)NC(=O)C4=CC(=C(C=C4)SC)[N+](=O)[O-])C

InChI

InChI=1S/C22H22N4O5S2/c1-12-10-13(2)23-21-17(12)18(19(33-21)22(28)25-6-8-31-9-7-25)24-20(27)14-4-5-16(32-3)15(11-14)26(29)30/h4-5,10-11H,6-9H2,1-3H3,(H,24,27)