3-[[2,6-bis(fluoranyl)-4-methyl-phenyl]methoxy]-5-[3-(4-methylpiperazin-1-yl)propylcarbamoylamino]-1,2-thiazole-4-carboxamide

Systemtic Name: 3-[[2,6-bis(fluoranyl)-4-methyl-phenyl]methoxy]-5-[3-(4-methylpiperazin-1-yl)propylcarbamoylamino]-1,2-thiazole-4-carboxamide Openeye Name: 3-[(2,6-difluoro-4-methyl-phenyl)methoxy]-5-[3-(4-methylpiperazin-1-yl)propylcarbamoylamino]isothiazole-4-carboxamide CAS Name: 3-[(2,6-difluoro-4-methylphenyl)methoxy]-5-[[[3-(4-methyl-1-piperazinyl)propylamino]-oxomethyl]amino]-4-isothiazolecarboxamide IUPAC Name: 3-[(2,6-difluoro-4-methylphenyl)methoxy]-5-[3-(4-methylpiperazin-1-yl)propylcarbamoylamino]-1,2-thiazole-4-carboxamide Traditional Name: 3-(2,6-difluoro-4-methyl-benzyl)oxy-5-[3-(4-methylpiperazino)propylcarbamoylamino]isothiazole-4-carboxamide Formula: C21H28F2N6O3S MolecularWeight: 482.547226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)F)COC2=NSC(=C2C(=O)N)NC(=O)NCCCN3CCN(CC3)C)F

Isomeric SMILES

CC1=CC(=C(C(=C1)F)COC2=NSC(=C2C(=O)N)NC(=O)NCCCN3CCN(CC3)C)F

InChI

InChI=1S/C21H28F2N6O3S/c1-13-10-15(22)14(16(23)11-13)12-32-19-17(18(24)30)20(33-27-19)26-21(31)25-4-3-5-29-8-6-28(2)7-9-29/h10-11H,3-9,12H2,1-2H3,(H2,24,30)(H2,25,26,31)