2-[2-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]oxymethyl]phenoxy]-N'-oxidanyl-pentanimidamide

Systemtic Name: 2-[2-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]oxymethyl]phenoxy]-N'-oxidanyl-pentanimidamide Openeye Name: 2-[2-[[2-(4-tert-butylthiazol-2-yl)benzofuran-5-yl]oxymethyl]phenoxy]-N'-hydroxy-pentanamidine CAS Name: 2-[2-[[2-(4-tert-butyl-2-thiazolyl)-5-benzofuranyl]oxymethyl]phenoxy]-N'-hydroxypentanimidamide IUPAC Name: 2-[2-[[2-(4-tert-butyl-1,3-thiazol-2-yl)-1-benzofuran-5-yl]oxymethyl]phenoxy]-N'-hydroxypentanimidamide Traditional Name: 2-[2-[[2-(4-tert-butylthiazol-2-yl)benzofuran-5-yl]oxymethyl]phenoxy]-N'-hydroxy-valeramidine Formula: C27H31N3O4S MolecularWeight: 493.61774

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=NO)N)OC1=CC=CC=C1COC2=CC3=C(C=C2)OC(=C3)C4=NC(=CS4)C(C)(C)C

Isomeric SMILES

CCCC(/C(=N/O)/N)OC1=CC=CC=C1COC2=CC3=C(C=C2)OC(=C3)C4=NC(=CS4)C(C)(C)C

InChI

InChI=1S/C27H31N3O4S/c1-5-8-22(25(28)30-31)33-20-10-7-6-9-17(20)15-32-19-11-12-21-18(13-19)14-23(34-21)26-29-24(16-35-26)27(2,3)4/h6-7,9-14,16,22,31H,5,8,15H2,1-4H3,(H2,28,30)