disodium [2-(methoxycarbonylamino)-5-propylsulfanyl-benzimidazol-1-yl]methyl phosphate

Systemtic Name: disodium [2-(methoxycarbonylamino)-5-propylsulfanyl-benzimidazol-1-yl]methyl phosphate Openeye Name: disodium [2-(methoxycarbonylamino)-5-propylsulfanyl-benzimidazol-1-yl]methyl phosphate CAS Name: disodium [2-(methoxycarbonylamino)-5-(propylthio)-1-benzimidazolyl]methyl phosphate IUPAC Name: disodium [2-(methoxycarbonylamino)-5-propylsulfanylbenzimidazol-1-yl]methyl phosphate Traditional Name: disodium [2-(carbomethoxyamino)-5-(propylthio)benzimidazol-1-yl]methyl phosphate Formula: C13H16N3Na2O6PS MolecularWeight: 419.300941

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC2=C(C=C1)N(C(=N2)NC(=O)OC)COP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

CCCSC1=CC2=C(C=C1)N(C(=N2)NC(=O)OC)COP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C13H18N3O6PS.2Na/c1-3-6-24-9-4-5-11-10(7-9)14-12(15-13(17)21-2)16(11)8-22-23(18,19)20;;/h4-5,7H,3,6,8H2,1-2H3,(H,14,15,17)(H2,18,19,20);;/q;2*+1/p-2