N-(2-methoxyphenyl)-4-[3-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanoylamino]benzamide

Systemtic Name: N-(2-methoxyphenyl)-4-[3-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanoylamino]benzamide Openeye Name: N-(2-methoxyphenyl)-4-[3-(4-thiazol-2-ylpiperazin-1-ium-1-yl)propanoylamino]benzamide CAS Name: N-(2-methoxyphenyl)-4-[[1-oxo-3-[4-(2-thiazolyl)-1-piperazin-1-iumyl]propyl]amino]benzamide IUPAC Name: N-(2-methoxyphenyl)-4-[3-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]propanoylamino]benzamide Traditional Name: N-(2-methoxyphenyl)-4-[3-(4-thiazol-2-ylpiperazin-1-ium-1-yl)propanoylamino]benzamide Formula: C24H28N5O3S+ MolecularWeight: 466.57582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27N5O3S/c1-32-21-5-3-2-4-20(21)27-23(31)18-6-8-19(9-7-18)26-22(30)10-12-28-13-15-29(16-14-28)24-25-11-17-33-24/h2-9,11,17H,10,12-16H2,1H3,(H,26,30)(H,27,31)/p+1