N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanyl-ethanamide Openeye Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]acetamide CAS Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]acetamide IUPAC Name: N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylacetamide Traditional Name: N-(2,4-dimethylbenzyl)-N-methyl-2-[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]acetamide Formula: C22H30N4O3S2 MolecularWeight: 462.6286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CN(C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)CN(C)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)C)C

InChI

InChI=1S/C22H30N4O3S2/c1-17-5-6-19(18(2)13-17)15-25(4)22(27)16-30-21-8-7-20(14-23-21)31(28,29)26-11-9-24(3)10-12-26/h5-8,13-14H,9-12,15-16H2,1-4H3