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

Systemtic Name: 3-[(2-fluoranyl-4-methyl-phenyl)methoxy]-5-[3-(4-methylpiperazin-1-yl)propylcarbamoylamino]-1,2-thiazole-4-carboxamide Openeye Name: 3-[(2-fluoro-4-methyl-phenyl)methoxy]-5-[3-(4-methylpiperazin-1-yl)propylcarbamoylamino]isothiazole-4-carboxamide CAS Name: 3-[(2-fluoro-4-methylphenyl)methoxy]-5-[[[3-(4-methyl-1-piperazinyl)propylamino]-oxomethyl]amino]-4-isothiazolecarboxamide IUPAC Name: 3-[(2-fluoro-4-methylphenyl)methoxy]-5-[3-(4-methylpiperazin-1-yl)propylcarbamoylamino]-1,2-thiazole-4-carboxamide Traditional Name: 3-(2-fluoro-4-methyl-benzyl)oxy-5-[3-(4-methylpiperazino)propylcarbamoylamino]isothiazole-4-carboxamide Formula: C21H29FN6O3S MolecularWeight: 464.556763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29FN6O3S/c1-14-4-5-15(16(22)12-14)13-31-19-17(18(23)29)20(32-26-19)25-21(30)24-6-3-7-28-10-8-27(2)9-11-28/h4-5,12H,3,6-11,13H2,1-2H3,(H2,23,29)(H2,24,25,30)