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

Systemtic Name: oxidanylidenetechnetium-99(3+); phenylmethanethiolate; 2-[2-piperidin-1-ylethyl(2-sulfanidylethyl)amino]ethanethiolate Openeye Name: oxotechnetium-99(3+); phenylmethanethiolate; 2-[2-(1-piperidyl)ethyl-(2-sulfidoethyl)amino]ethanethiolate CAS Name: oxotechnetium-99(3+); phenylmethanethiolate; 2-[2-(1-piperidinyl)ethyl-(2-sulfidoethyl)amino]ethanethiolate IUPAC Name: oxotechnetium-99(3+); phenylmethanethiolate; 2-[2-piperidin-1-ylethyl(2-sulfidoethyl)amino]ethanethiolate Traditional Name: ketotechnetium-99(3+); phenylmethanethiolate; 2-[2-piperidinoethyl(2-sulfidoethyl)amino]ethanethiolate Formula: C18H29N2OS3Tc MolecularWeight: 484.536915

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H24N2S2.C7H8S.O.Tc/c14-10-8-13(9-11-15)7-6-12-4-2-1-3-5-12;8-6-7-4-2-1-3-5-7;;/h14-15H,1-11H2;1-5,8H,6H2;;/q;;;+3/p-3/i;;;1+1