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

Systemtic Name: N-[2-(5-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-2-nitro-benzamide Openeye Name: N-[2-(5-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-2-nitro-benzamide CAS Name: N-[2-(5-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-2-nitrobenzamide IUPAC Name: N-[2-(5-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-2-nitrobenzamide Traditional Name: N-[2-(5-butyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-2-nitro-benzamide Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CC2=C(CN1CCNC(=O)C3=CC=CC=C3[N+](=O)[O-])SC=C2

Isomeric SMILES

CCCCC1CC2=C(CN1CCNC(=O)C3=CC=CC=C3[N+](=O)[O-])SC=C2

InChI

InChI=1S/C20H25N3O3S/c1-2-3-6-16-13-15-9-12-27-19(15)14-22(16)11-10-21-20(24)17-7-4-5-8-18(17)23(25)26/h4-5,7-9,12,16H,2-3,6,10-11,13-14H2,1H3,(H,21,24)