4,5-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]-2-nitro-benzamide

Systemtic Name: 4,5-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-yl-ethyl]-2-nitro-benzamide Openeye Name: 4,5-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-2-(3-thienyl)ethyl]-2-nitro-benzamide CAS Name: 4,5-dimethoxy-N-[2-(4-methyl-1-piperazinyl)-2-(3-thiophenyl)ethyl]-2-nitrobenzamide IUPAC Name: 4,5-dimethoxy-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]-2-nitrobenzamide Traditional Name: 4,5-dimethoxy-N-[2-(4-methylpiperazino)-2-(3-thienyl)ethyl]-2-nitro-benzamide Formula: C20H26N4O5S MolecularWeight: 434.50924

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C3=CSC=C3

Isomeric SMILES

CN1CCN(CC1)C(CNC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C3=CSC=C3

InChI

InChI=1S/C20H26N4O5S/c1-22-5-7-23(8-6-22)17(14-4-9-30-13-14)12-21-20(25)15-10-18(28-2)19(29-3)11-16(15)24(26)27/h4,9-11,13,17H,5-8,12H2,1-3H3,(H,21,25)