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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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