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

Systemtic Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylcarbonyl)-2-methyl-phenyl]-3-nitro-benzamide Openeye Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methyl-phenyl]-3-nitro-benzamide CAS Name: N-[3-[6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(oxo)methyl]-2-methylphenyl]-3-nitrobenzamide IUPAC Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-nitrobenzamide Traditional Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methyl-phenyl]-3-nitro-benzamide Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)N3CCC4=C(C3)C=CS4

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)N3CCC4=C(C3)C=CS4

InChI

InChI=1S/C22H19N3O4S/c1-14-18(22(27)24-10-8-20-16(13-24)9-11-30-20)6-3-7-19(14)23-21(26)15-4-2-5-17(12-15)25(28)29/h2-7,9,11-12H,8,10,13H2,1H3,(H,23,26)