4-(3,5-dimethylphenyl)sulfanyl-5-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl]-3-iodanyl-6-methyl-1H-pyridin-2-one

Systemtic Name: 4-(3,5-dimethylphenyl)sulfanyl-5-[[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl]-3-iodanyl-6-methyl-1H-pyridin-2-one Openeye Name: 4-(3,5-dimethylphenyl)sulfanyl-5-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3-iodo-6-methyl-1H-pyridin-2-one CAS Name: 4-[(3,5-dimethylphenyl)thio]-5-[[4-[2-furanyl(oxo)methyl]-1-piperazinyl]methyl]-3-iodo-6-methyl-1H-pyridin-2-one IUPAC Name: 4-(3,5-dimethylphenyl)sulfanyl-5-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3-iodo-6-methyl-1H-pyridin-2-one Traditional Name: 4-[(3,5-dimethylphenyl)thio]-5-[[4-(2-furoyl)piperazino]methyl]-3-iodo-6-methyl-2-pyridone Formula: C24H26IN3O3S MolecularWeight: 563.45101

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)SC2=C(C(=O)NC(=C2CN3CCN(CC3)C(=O)C4=CC=CO4)C)I)C

Isomeric SMILES

CC1=CC(=CC(=C1)SC2=C(C(=O)NC(=C2CN3CCN(CC3)C(=O)C4=CC=CO4)C)I)C

InChI

InChI=1S/C24H26IN3O3S/c1-15-11-16(2)13-18(12-15)32-22-19(17(3)26-23(29)21(22)25)14-27-6-8-28(9-7-27)24(30)20-5-4-10-31-20/h4-5,10-13H,6-9,14H2,1-3H3,(H,26,29)