3-[4-[6-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-thiazol-5-yl]hexanoylamino]phenyl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[4-[6-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-thiazol-5-yl]hexanoylamino]phenyl]pentan-3-ylphosphonic acid Openeye Name: [1-[4-[6-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)thiazol-5-yl]hexanoylamino]phenyl]-1-ethyl-propyl]phosphonic acid CAS Name: 3-[4-[[6-[2-(1-benzimidazolyl)-4-(4-chlorophenyl)-5-thiazolyl]-1-oxohexyl]amino]phenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[4-[6-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)-1,3-thiazol-5-yl]hexanoylamino]phenyl]pentan-3-ylphosphonic acid Traditional Name: [1-[4-[6-[2-(benzimidazol-1-yl)-4-(4-chlorophenyl)thiazol-5-yl]hexanoylamino]phenyl]-1-ethyl-propyl]phosphonic acid Formula: C33H36ClN4O4PS MolecularWeight: 651.155101

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC=C(C=C1)NC(=O)CCCCCC2=C(N=C(S2)N3C=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl)P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CC=C(C=C1)NC(=O)CCCCCC2=C(N=C(S2)N3C=NC4=CC=CC=C43)C5=CC=C(C=C5)Cl)P(=O)(O)O

InChI

InChI=1S/C33H36ClN4O4PS/c1-3-33(4-2,43(40,41)42)24-16-20-26(21-17-24)36-30(39)13-7-5-6-12-29-31(23-14-18-25(34)19-15-23)37-32(44-29)38-22-35-27-10-8-9-11-28(27)38/h8-11,14-22H,3-7,12-13H2,1-2H3,(H,36,39)(H2,40,41,42)