2-[4-(2-diethylaminoethylcarbamoyl)-2-(2-sulfanidylethanoylazanidyl)phenyl]azanidyl-2-oxidanylidene-ethanethiolate; technetium(4+); hydroxide

Systemtic Name: 2-[4-(2-diethylaminoethylcarbamoyl)-2-(2-sulfanidylethanoylazanidyl)phenyl]azanidyl-2-oxidanylidene-ethanethiolate; technetium(4+); hydroxide Openeye Name: 2-[4-(2-diethylaminoethylcarbamoyl)-2-(2-sulfidoacetyl)azanidyl-phenyl]azanidyl-2-oxo-ethanethiolate; technetium(4+); hydroxide CAS Name: 2-[4-[(2-diethylaminoethylamino)-oxomethyl]-2-(1-oxo-2-sulfidoethyl)azanidylphenyl]azanidyl-2-oxoethanethiolate; technetium(4+); hydroxide IUPAC Name: 2-[4-(2-diethylaminoethylcarbamoyl)-2-(2-sulfidoacetyl)azanidylphenyl]azanidyl-2-oxoethanethiolate; technetium(4+); hydroxide Traditional Name: 2-[4-(2-diethylaminoethylcarbamoyl)-2-(2-sulfidoacetyl)azanidyl-phenyl]azanidyl-2-keto-ethanethiolate; technetium(4+); hydroxide Formula: C17H23N4O4S2Tc- MolecularWeight: 509.426136

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=O)C1=CC(=C(C=C1)[N-]C(=O)C[S-])[N-]C(=O)C[S-].[OH-].[Tc+4]

Isomeric SMILES

CCN(CC)CCNC(=O)C1=CC(=C(C=C1)[N-]C(=O)C[S-])[N-]C(=O)C[S-].[OH-].[Tc+4]

InChI

InChI=1S/C17H26N4O3S2.H2O.Tc/c1-3-21(4-2)8-7-18-17(24)12-5-6-13(19-15(22)10-25)14(9-12)20-16(23)11-26;;/h5-6,9H,3-4,7-8,10-11H2,1-2H3,(H5,18,19,20,22,23,24,25,26);1H2;/q;;+4/p-5