2-[(2-methoxy-5-nitro-phenyl)amino]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone

Systemtic Name: 2-[(2-methoxy-5-nitro-phenyl)amino]-1-(4-thiophen-2-ylcarbonylpiperazin-1-yl)ethanone Openeye Name: 2-(2-methoxy-5-nitro-anilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-(2-methoxy-5-nitroanilino)-1-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]ethanone IUPAC Name: 2-(2-methoxy-5-nitroanilino)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-(2-methoxy-5-nitro-anilino)-1-[4-(2-thenoyl)piperazino]ethanone Formula: C18H20N4O5S MolecularWeight: 404.4402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NCC(=O)N2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C18H20N4O5S/c1-27-15-5-4-13(22(25)26)11-14(15)19-12-17(23)20-6-8-21(9-7-20)18(24)16-3-2-10-28-16/h2-5,10-11,19H,6-9,12H2,1H3