(4-methoxyphenyl)methanethiolate; oxidanylidenetechnetium-99(3+); 2-[2-piperidin-1-ylethyl(2-sulfanidylethyl)amino]ethanethiolate

Systemtic Name: (4-methoxyphenyl)methanethiolate; oxidanylidenetechnetium-99(3+); 2-[2-piperidin-1-ylethyl(2-sulfanidylethyl)amino]ethanethiolate Openeye Name: (4-methoxyphenyl)methanethiolate; oxotechnetium-99(3+); 2-[2-(1-piperidyl)ethyl-(2-sulfidoethyl)amino]ethanethiolate CAS Name: (4-methoxyphenyl)methanethiolate; oxotechnetium-99(3+); 2-[2-(1-piperidinyl)ethyl-(2-sulfidoethyl)amino]ethanethiolate IUPAC Name: (4-methoxyphenyl)methanethiolate; oxotechnetium-99(3+); 2-[2-piperidin-1-ylethyl(2-sulfidoethyl)amino]ethanethiolate Traditional Name: ketotechnetium-99(3+); (4-methoxyphenyl)methanethiolate; 2-[2-piperidinoethyl(2-sulfidoethyl)amino]ethanethiolate Formula: C19H31N2O2S3Tc MolecularWeight: 514.562895

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[S-].C1CCN(CC1)CCN(CC[S-])CC[S-].O=[Tc+3]

Isomeric SMILES

COC1=CC=C(C=C1)C[S-].C1CCN(CC1)CCN(CC[S-])CC[S-].O=[99Tc+3]

InChI

InChI=1S/C11H24N2S2.C8H10OS.O.Tc/c14-10-8-13(9-11-15)7-6-12-4-2-1-3-5-12;1-9-8-4-2-7(6-10)3-5-8;;/h14-15H,1-11H2;2-5,10H,6H2,1H3;;/q;;;+3/p-3/i;;;1+1