4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]-3-nitro-benzamide

Systemtic Name: 4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]-3-nitro-benzamide Openeye Name: 4-methyl-N-[2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]-3-nitro-benzamide CAS Name: 4-methyl-N-[2-(4-methyl-1-piperidinyl)-2-thiophen-2-ylethyl]-3-nitrobenzamide IUPAC Name: 4-methyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-nitrobenzamide Traditional Name: 4-methyl-N-[2-(4-methylpiperidino)-2-(2-thienyl)ethyl]-3-nitro-benzamide Formula: C20H25N3O3S MolecularWeight: 387.4958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(CNC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

CC1CCN(CC1)C(CNC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C20H25N3O3S/c1-14-7-9-22(10-8-14)18(19-4-3-11-27-19)13-21-20(24)16-6-5-15(2)17(12-16)23(25)26/h3-6,11-12,14,18H,7-10,13H2,1-2H3,(H,21,24)