N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylcarbonyl)-2-methyl-phenyl]-3-methyl-2-nitro-benzamide

Systemtic Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylcarbonyl)-2-methyl-phenyl]-3-methyl-2-nitro-benzamide Openeye Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methyl-phenyl]-3-methyl-2-nitro-benzamide CAS Name: N-[3-[6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(oxo)methyl]-2-methylphenyl]-3-methyl-2-nitrobenzamide IUPAC Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-methyl-2-nitrobenzamide Traditional Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methyl-phenyl]-3-methyl-2-nitro-benzamide Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=CC=CC(=C2C)C(=O)N3CCC4=C(C3)C=CS4

Isomeric SMILES

CC1=CC=CC(=C1[N+](=O)[O-])C(=O)NC2=CC=CC(=C2C)C(=O)N3CCC4=C(C3)C=CS4

InChI

InChI=1S/C23H21N3O4S/c1-14-5-3-7-18(21(14)26(29)30)22(27)24-19-8-4-6-17(15(19)2)23(28)25-11-9-20-16(13-25)10-12-31-20/h3-8,10,12H,9,11,13H2,1-2H3,(H,24,27)