5-[3-(cyclohexylamino)propylcarbamoylamino]-3-[(2-fluoranyl-4-methyl-phenyl)methoxy]-1,2-thiazole-4-carboxylic acid

Systemtic Name: 5-[3-(cyclohexylamino)propylcarbamoylamino]-3-[(2-fluoranyl-4-methyl-phenyl)methoxy]-1,2-thiazole-4-carboxylic acid Openeye Name: 5-[3-(cyclohexylamino)propylcarbamoylamino]-3-[(2-fluoro-4-methyl-phenyl)methoxy]isothiazole-4-carboxylic acid CAS Name: 5-[[[3-(cyclohexylamino)propylamino]-oxomethyl]amino]-3-[(2-fluoro-4-methylphenyl)methoxy]-4-isothiazolecarboxylic acid IUPAC Name: 5-[3-(cyclohexylamino)propylcarbamoylamino]-3-[(2-fluoro-4-methylphenyl)methoxy]-1,2-thiazole-4-carboxylic acid Traditional Name: 5-[3-(cyclohexylamino)propylcarbamoylamino]-3-(2-fluoro-4-methyl-benzyl)oxy-isothiazole-4-carboxylic acid Formula: C22H29FN4O4S MolecularWeight: 464.553463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)COC2=NSC(=C2C(=O)O)NC(=O)NCCCNC3CCCCC3)F

Isomeric SMILES

CC1=CC(=C(C=C1)COC2=NSC(=C2C(=O)O)NC(=O)NCCCNC3CCCCC3)F

InChI

InChI=1S/C22H29FN4O4S/c1-14-8-9-15(17(23)12-14)13-31-19-18(21(28)29)20(32-27-19)26-22(30)25-11-5-10-24-16-6-3-2-4-7-16/h8-9,12,16,24H,2-7,10-11,13H2,1H3,(H,28,29)(H2,25,26,30)