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

Systemtic Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylcarbonyl)-2-methyl-phenyl]-2-nitro-benzamide Openeye Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methyl-phenyl]-2-nitro-benzamide CAS Name: N-[3-[6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(oxo)methyl]-2-methylphenyl]-2-nitrobenzamide IUPAC Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-2-nitrobenzamide Traditional Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methyl-phenyl]-2-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/c1-14-16(22(27)24-11-9-20-15(13-24)10-12-30-20)6-4-7-18(14)23-21(26)17-5-2-3-8-19(17)25(28)29/h2-8,10,12H,9,11,13H2,1H3,(H,23,26)