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

Systemtic Name: 4-azanyl-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-yl-ethyl]-3-nitro-benzamide Openeye Name: 4-amino-N-[2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]-3-nitro-benzamide CAS Name: 4-amino-N-[2-(4-methyl-1-piperidinyl)-2-thiophen-2-ylethyl]-3-nitrobenzamide IUPAC Name: 4-amino-N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-3-nitrobenzamide Traditional Name: 4-amino-N-[2-(4-methylpiperidino)-2-(2-thienyl)ethyl]-3-nitro-benzamide Formula: C19H24N4O3S MolecularWeight: 388.48386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N4O3S/c1-13-6-8-22(9-7-13)17(18-3-2-10-27-18)12-21-19(24)14-4-5-15(20)16(11-14)23(25)26/h2-5,10-11,13,17H,6-9,12,20H2,1H3,(H,21,24)