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

Systemtic Name: N-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-butyl-N-[2-[4-(4-fluorophenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-keto-ethyl]-3-nitro-benzamide Formula: C26H26FN3O4S MolecularWeight: 495.565743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26FN3O4S/c1-2-3-13-28(26(32)19-5-4-6-21(16-19)30(33)34)17-24(31)29-14-11-23-22(12-15-35-23)25(29)18-7-9-20(27)10-8-18/h4-10,12,15-16,25H,2-3,11,13-14,17H2,1H3