N-(2-methoxyphenyl)-4-[2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanoylamino]benzamide

Systemtic Name: N-(2-methoxyphenyl)-4-[2-(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)ethanoylamino]benzamide Openeye Name: N-(2-methoxyphenyl)-4-[[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide CAS Name: N-(2-methoxyphenyl)-4-[[1-oxo-2-[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]ethyl]amino]benzamide IUPAC Name: N-(2-methoxyphenyl)-4-[[2-[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Traditional Name: N-(2-methoxyphenyl)-4-[[2-[4-(2-thenoyl)piperazin-1-ium-1-yl]acetyl]amino]benzamide Formula: C25H27N4O4S+ MolecularWeight: 479.57128

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C25H26N4O4S/c1-33-21-6-3-2-5-20(21)27-24(31)18-8-10-19(11-9-18)26-23(30)17-28-12-14-29(15-13-28)25(32)22-7-4-16-34-22/h2-11,16H,12-15,17H2,1H3,(H,26,30)(H,27,31)/p+1