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

Systemtic Name: N-(4,6-dimethyl-2-morpholin-4-ylcarbonyl-thieno[2,3-b]pyridin-3-yl)-4-nitro-benzamide Openeye Name: N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-4-nitro-benzamide CAS Name: N-[4,6-dimethyl-2-[4-morpholinyl(oxo)methyl]-3-thieno[2,3-b]pyridinyl]-4-nitrobenzamide IUPAC Name: N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-4-nitrobenzamide Traditional Name: N-[4,6-dimethyl-2-(morpholine-4-carbonyl)thieno[2,3-b]pyridin-3-yl]-4-nitro-benzamide Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O5S/c1-12-11-13(2)22-20-16(12)17(18(31-20)21(27)24-7-9-30-10-8-24)23-19(26)14-3-5-15(6-4-14)25(28)29/h3-6,11H,7-10H2,1-2H3,(H,23,26)