2-(2,4-dimethylphenoxy)-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(2,4-dimethylphenoxy)-1-[4-(5-nitrothiophen-2-yl)carbonylpiperazin-1-yl]ethanone Openeye Name: 2-(2,4-dimethylphenoxy)-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]ethanone CAS Name: 2-(2,4-dimethylphenoxy)-1-[4-[(5-nitro-2-thiophenyl)-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 2-(2,4-dimethylphenoxy)-1-[4-(5-nitrothiophene-2-carbonyl)piperazin-1-yl]ethanone Traditional Name: 2-(2,4-dimethylphenoxy)-1-[4-(5-nitrothiophene-2-carbonyl)piperazino]ethanone Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)C3=CC=C(S3)[N+](=O)[O-])C

InChI

InChI=1S/C19H21N3O5S/c1-13-3-4-15(14(2)11-13)27-12-17(23)20-7-9-21(10-8-20)19(24)16-5-6-18(28-16)22(25)26/h3-6,11H,7-10,12H2,1-2H3