N'-(2-methyl-5-nitro-phenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanediamide

Systemtic Name: N'-(2-methyl-5-nitro-phenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]ethanediamide Openeye Name: N'-(2-methyl-5-nitro-phenyl)-N-[[1-(2-thienylmethyl)-4-piperidyl]methyl]oxamide CAS Name: N'-(2-methyl-5-nitrophenyl)-N-[[1-(thiophen-2-ylmethyl)-4-piperidinyl]methyl]oxamide IUPAC Name: N'-(2-methyl-5-nitrophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]oxamide Traditional Name: N'-(2-methyl-5-nitro-phenyl)-N-[[1-(2-thenyl)-4-piperidyl]methyl]oxamide Formula: C20H24N4O4S MolecularWeight: 416.49396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(=O)NCC2CCN(CC2)CC3=CC=CS3

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C(=O)NCC2CCN(CC2)CC3=CC=CS3

InChI

InChI=1S/C20H24N4O4S/c1-14-4-5-16(24(27)28)11-18(14)22-20(26)19(25)21-12-15-6-8-23(9-7-15)13-17-3-2-10-29-17/h2-5,10-11,15H,6-9,12-13H2,1H3,(H,21,25)(H,22,26)