1-[4-(2-nitrophenyl)piperazin-1-yl]-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]ethanone

Systemtic Name: 1-[4-(2-nitrophenyl)piperazin-1-yl]-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]ethanone Openeye Name: 1-[4-(2-nitrophenyl)piperazin-1-yl]-2-[tetrahydrofuran-2-ylmethyl(2-thienylmethyl)amino]ethanone CAS Name: 1-[4-(2-nitrophenyl)-1-piperazinyl]-2-[2-oxolanylmethyl(thiophen-2-ylmethyl)amino]ethanone IUPAC Name: 1-[4-(2-nitrophenyl)piperazin-1-yl]-2-[oxolan-2-ylmethyl(thiophen-2-ylmethyl)amino]ethanone Traditional Name: 1-[4-(2-nitrophenyl)piperazino]-2-[tetrahydrofurfuryl(2-thenyl)amino]ethanone Formula: C22H28N4O4S MolecularWeight: 444.54712

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(CC2=CC=CS2)CC(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

C1CC(OC1)CN(CC2=CC=CS2)CC(=O)N3CCN(CC3)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C22H28N4O4S/c27-22(17-23(15-18-5-3-13-30-18)16-19-6-4-14-31-19)25-11-9-24(10-12-25)20-7-1-2-8-21(20)26(28)29/h1-2,4,6-8,14,18H,3,5,9-13,15-17H2