N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-[4-(furan-2-ylcarbonyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-2-[4-[2-furanyl(oxo)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2-[4-(furan-2-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-[4-[(2,5-dimethylphenyl)thio]phenyl]-2-[4-(2-furoyl)piperazin-1-ium-1-yl]acetamide Formula: C25H28N3O3S+ MolecularWeight: 450.57312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=CC=C(C=C2)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C25H27N3O3S/c1-18-5-6-19(2)23(16-18)32-21-9-7-20(8-10-21)26-24(29)17-27-11-13-28(14-12-27)25(30)22-4-3-15-31-22/h3-10,15-16H,11-14,17H2,1-2H3,(H,26,29)/p+1