3-[[2,5-bis(fluoranyl)-4-methyl-phenyl]methoxy]-5-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]butylcarbamoylamino]-1,2-thiazole-4-carboxamide

Systemtic Name: 3-[[2,5-bis(fluoranyl)-4-methyl-phenyl]methoxy]-5-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]butylcarbamoylamino]-1,2-thiazole-4-carboxamide Openeye Name: 3-[(2,5-difluoro-4-methyl-phenyl)methoxy]-5-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]butylcarbamoylamino]isothiazole-4-carboxamide CAS Name: 3-[(2,5-difluoro-4-methylphenyl)methoxy]-5-[[[4-[2-(hydroxymethyl)-1-pyrrolidinyl]butylamino]-oxomethyl]amino]-4-isothiazolecarboxamide IUPAC Name: 3-[(2,5-difluoro-4-methylphenyl)methoxy]-5-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]butylcarbamoylamino]-1,2-thiazole-4-carboxamide Traditional Name: 3-(2,5-difluoro-4-methyl-benzyl)oxy-5-[4-(2-methylolpyrrolidino)butylcarbamoylamino]isothiazole-4-carboxamide Formula: C22H29F2N5O4S MolecularWeight: 497.558566

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1F)COC2=NSC(=C2C(=O)N)NC(=O)NCCCCN3CCCC3CO)F

Isomeric SMILES

CC1=CC(=C(C=C1F)COC2=NSC(=C2C(=O)N)NC(=O)NCCCCN3CCCC3CO)F

InChI

InChI=1S/C22H29F2N5O4S/c1-13-9-17(24)14(10-16(13)23)12-33-20-18(19(25)31)21(34-28-20)27-22(32)26-6-2-3-7-29-8-4-5-15(29)11-30/h9-10,15,30H,2-8,11-12H2,1H3,(H2,25,31)(H2,26,27,32)