4-[5-[4-(2-methyl-5-propan-2-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]-N'-oxidanyl-benzenecarboximidamide; (1-oxidanyl-1-phosphono-2-pyridin-3-yl-ethyl)phosphonic acid

Systemtic Name: 4-[5-[4-(2-methyl-5-propan-2-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]-N'-oxidanyl-benzenecarboximidamide; (1-oxidanyl-1-phosphono-2-pyridin-3-yl-ethyl)phosphonic acid Openeye Name: N'-hydroxy-4-[5-[4-(5-isopropyl-2-methyl-thiazol-4-yl)phenoxy]pentoxy]benzamidine; [1-hydroxy-1-phosphono-2-(3-pyridyl)ethyl]phosphonic acid CAS Name: N'-hydroxy-4-[5-[4-(2-methyl-5-propan-2-yl-4-thiazolyl)phenoxy]pentoxy]benzenecarboximidamide; [1-hydroxy-1-phosphono-2-(3-pyridinyl)ethyl]phosphonic acid IUPAC Name: N'-hydroxy-4-[5-[4-(2-methyl-5-propan-2-yl-1,3-thiazol-4-yl)phenoxy]pentoxy]benzenecarboximidamide; (1-hydroxy-1-phosphono-2-pyridin-3-ylethyl)phosphonic acid Traditional Name: N'-hydroxy-4-[5-[4-(5-isopropyl-2-methyl-thiazol-4-yl)phenoxy]pentoxy]benzamidine; [1-hydroxy-1-phosphono-2-(3-pyridyl)ethyl]phosphonic acid Formula: C32H42N4O10P2S MolecularWeight: 736.709202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(S1)C(C)C)C2=CC=C(C=C2)OCCCCCOC3=CC=C(C=C3)C(=NO)N.C1=CC(=CN=C1)CC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1=NC(=C(S1)C(C)C)C2=CC=C(C=C2)OCCCCCOC3=CC=C(C=C3)/C(=N/O)/N.C1=CC(=CN=C1)CC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C25H31N3O3S.C7H11NO7P2/c1-17(2)24-23(27-18(3)32-24)19-7-11-21(12-8-19)30-15-5-4-6-16-31-22-13-9-20(10-14-22)25(26)28-29;9-7(16(10,11)12,17(13,14)15)4-6-2-1-3-8-5-6/h7-14,17,29H,4-6,15-16H2,1-3H3,(H2,26,28);1-3,5,9H,4H2,(H2,10,11,12)(H2,13,14,15)