2-(3-methyl-4-nitro-phenoxy)-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(3-methyl-4-nitro-phenoxy)-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-(3-methyl-4-nitro-phenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-(3-methyl-4-nitrophenoxy)-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(3-methyl-4-nitrophenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-(3-methyl-4-nitro-phenoxy)-1-[4-(2-thenoyl)piperazino]ethanone Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)OCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5S/c1-13-11-14(4-5-15(13)21(24)25)26-12-17(22)19-6-8-20(9-7-19)18(23)16-3-2-10-27-16/h2-5,10-11H,6-9,12H2,1H3