2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]ethanamide

Systemtic Name: 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]ethanamide Openeye Name: N-[6-(4-methylpiperazin-1-yl)-3-pyridyl]-2-[1-(o-tolyl)imidazol-2-yl]sulfanyl-acetamide CAS Name: 2-[[1-(2-methylphenyl)-2-imidazolyl]thio]-N-[6-(4-methyl-1-piperazinyl)-3-pyridinyl]acetamide IUPAC Name: 2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-N-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]acetamide Traditional Name: N-[6-(4-methylpiperazino)-3-pyridyl]-2-[[1-(o-tolyl)imidazol-2-yl]thio]acetamide Formula: C22H26N6OS MolecularWeight: 422.54644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=CN=C2SCC(=O)NC3=CN=C(C=C3)N4CCN(CC4)C

Isomeric SMILES

CC1=CC=CC=C1N2C=CN=C2SCC(=O)NC3=CN=C(C=C3)N4CCN(CC4)C

InChI

InChI=1S/C22H26N6OS/c1-17-5-3-4-6-19(17)28-10-9-23-22(28)30-16-21(29)25-18-7-8-20(24-15-18)27-13-11-26(2)12-14-27/h3-10,15H,11-14,16H2,1-2H3,(H,25,29)