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

Systemtic Name: N-[2-(7-butyl-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-2-nitro-benzamide Openeye Name: N-[2-(7-butyl-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-2-nitro-benzamide CAS Name: N-[2-(7-butyl-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-2-nitrobenzamide IUPAC Name: N-[2-(7-butyl-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-2-nitrobenzamide Traditional Name: N-[2-(7-butyl-5-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl)ethyl]-2-nitro-benzamide Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C2=C(CC(N1CCNC(=O)C3=CC=CC=C3[N+](=O)[O-])C)C=CS2

Isomeric SMILES

CCCCC1C2=C(CC(N1CCNC(=O)C3=CC=CC=C3[N+](=O)[O-])C)C=CS2

InChI

InChI=1S/C21H27N3O3S/c1-3-4-8-19-20-16(10-13-28-20)14-15(2)23(19)12-11-22-21(25)17-7-5-6-9-18(17)24(26)27/h5-7,9-10,13,15,19H,3-4,8,11-12,14H2,1-2H3,(H,22,25)