2-[2-(6-azanyl-2-methylazanidyl-hexanoyl)azanidylethanoylazanidyl]-3-oxidanylidene-butane-1-thiolate; oxidanylidenetechnetium(4+)

Systemtic Name: 2-[2-(6-azanyl-2-methylazanidyl-hexanoyl)azanidylethanoylazanidyl]-3-oxidanylidene-butane-1-thiolate; oxidanylidenetechnetium(4+) Openeye Name: 2-[2-(6-amino-2-methylazanidyl-hexanoyl)azanidylacetyl]azanidyl-3-oxo-butane-1-thiolate; oxotechnetium(4+) CAS Name: 2-[2-(6-amino-2-methylazanidyl-1-oxohexyl)azanidyl-1-oxoethyl]azanidyl-3-oxo-1-butanethiolate; oxotechnetium(4+) IUPAC Name: 2-[2-(6-amino-2-methylazanidylhexanoyl)azanidylacetyl]azanidyl-3-oxobutane-1-thiolate; oxotechnetium(4+) Traditional Name: 2-[2-(6-amino-2-methylazanidyl-hexanoyl)azanidylacetyl]azanidyl-3-keto-butane-1-thiolate; ketotechnetium(4+) Formula: C13H22N4O4STc MolecularWeight: 428.310396

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C[S-])[N-]C(=O)C[N-]C(=O)C(CCCCN)[N-]C.O=[Tc+4]

Isomeric SMILES

CC(=O)C(C[S-])[N-]C(=O)C[N-]C(=O)C(CCCCN)[N-]C.O=[Tc+4]

InChI

InChI=1S/C13H25N4O3S.O.Tc/c1-9(18)11(8-21)17-12(19)7-16-13(20)10(15-2)5-3-4-6-14;;/h10-11H,3-8,14H2,1-2H3,(H3,16,17,19,20,21);;/q-1;;+4/p-3