N-butan-2-yl-3-nitro-N-[2-oxidanylidene-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide

Systemtic Name: N-butan-2-yl-3-nitro-N-[2-oxidanylidene-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide Openeye Name: 3-nitro-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-N-sec-butyl-benzamide CAS Name: N-butan-2-yl-3-nitro-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide IUPAC Name: N-butan-2-yl-3-nitro-N-[2-oxo-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]benzamide Traditional Name: N-[2-keto-2-(4-phenyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-nitro-N-sec-butyl-benzamide Formula: C26H27N3O4S MolecularWeight: 477.57528

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N(CC(=O)N1CCC2=C(C1C3=CC=CC=C3)C=CS2)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCC(C)N(CC(=O)N1CCC2=C(C1C3=CC=CC=C3)C=CS2)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H27N3O4S/c1-3-18(2)28(26(31)20-10-7-11-21(16-20)29(32)33)17-24(30)27-14-12-23-22(13-15-34-23)25(27)19-8-5-4-6-9-19/h4-11,13,15-16,18,25H,3,12,14,17H2,1-2H3