3-[(2-fluoranyl-4-methyl-phenyl)methoxy]-5-[5-(propan-2-ylamino)pentylcarbamoylamino]-1,2-thiazole-4-carboxamide

Systemtic Name: 3-[(2-fluoranyl-4-methyl-phenyl)methoxy]-5-[5-(propan-2-ylamino)pentylcarbamoylamino]-1,2-thiazole-4-carboxamide Openeye Name: 3-[(2-fluoro-4-methyl-phenyl)methoxy]-5-[5-(isopropylamino)pentylcarbamoylamino]isothiazole-4-carboxamide CAS Name: 3-[(2-fluoro-4-methylphenyl)methoxy]-5-[[oxo-[5-(propan-2-ylamino)pentylamino]methyl]amino]-4-isothiazolecarboxamide IUPAC Name: 3-[(2-fluoro-4-methylphenyl)methoxy]-5-[5-(propan-2-ylamino)pentylcarbamoylamino]-1,2-thiazole-4-carboxamide Traditional Name: 3-(2-fluoro-4-methyl-benzyl)oxy-5-[5-(isopropylamino)pentylcarbamoylamino]isothiazole-4-carboxamide Formula: C21H30FN5O3S MolecularWeight: 451.558003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30FN5O3S/c1-13(2)24-9-5-4-6-10-25-21(29)26-20-17(18(23)28)19(27-31-20)30-12-15-8-7-14(3)11-16(15)22/h7-8,11,13,24H,4-6,9-10,12H2,1-3H3,(H2,23,28)(H2,25,26,29)