N'-(4-methyl-2-nitro-phenyl)-N-(2-piperidin-1-yl-2-thiophen-3-yl-ethyl)ethanediamide

Systemtic Name: N'-(4-methyl-2-nitro-phenyl)-N-(2-piperidin-1-yl-2-thiophen-3-yl-ethyl)ethanediamide Openeye Name: N'-(4-methyl-2-nitro-phenyl)-N-[2-(1-piperidyl)-2-(3-thienyl)ethyl]oxamide CAS Name: N'-(4-methyl-2-nitrophenyl)-N-[2-(1-piperidinyl)-2-(3-thiophenyl)ethyl]oxamide IUPAC Name: N'-(4-methyl-2-nitrophenyl)-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)oxamide Traditional Name: N'-(4-methyl-2-nitro-phenyl)-N-[2-piperidino-2-(3-thienyl)ethyl]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)NCC(C2=CSC=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C(=O)NCC(C2=CSC=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O4S/c1-14-5-6-16(17(11-14)24(27)28)22-20(26)19(25)21-12-18(15-7-10-29-13-15)23-8-3-2-4-9-23/h5-7,10-11,13,18H,2-4,8-9,12H2,1H3,(H,21,25)(H,22,26)