N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylcarbonyl)-2-methyl-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylcarbonyl)-2-methyl-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methyl-phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[3-[6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(oxo)methyl]-2-methylphenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methylphenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)-2-methyl-phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C26H26N4O4S MolecularWeight: 490.57404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C(=O)N4CCC5=C(C4)C=CS5

Isomeric SMILES

CC1=C(C=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C(=O)N4CCC5=C(C4)C=CS5

InChI

InChI=1S/C26H26N4O4S/c1-17-20(26(32)29-13-9-24-19(16-29)10-14-35-24)5-4-6-21(17)27-25(31)18-7-8-22(23(15-18)30(33)34)28-11-2-3-12-28/h4-8,10,14-15H,2-3,9,11-13,16H2,1H3,(H,27,31)