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

Systemtic Name: 4-methylbenzenethiolate; oxidanylidenetechnetium-99(3+); 2-[2-piperidin-1-ylethyl(2-sulfanidylethyl)amino]ethanethiolate Openeye Name: 4-methylbenzenethiolate; oxotechnetium-99(3+); 2-[2-(1-piperidyl)ethyl-(2-sulfidoethyl)amino]ethanethiolate CAS Name: 4-methylbenzenethiolate; oxotechnetium-99(3+); 2-[2-(1-piperidinyl)ethyl-(2-sulfidoethyl)amino]ethanethiolate IUPAC Name: 4-methylbenzenethiolate; oxotechnetium-99(3+); 2-[2-piperidin-1-ylethyl(2-sulfidoethyl)amino]ethanethiolate Traditional Name: ketotechnetium-99(3+); 4-methylbenzenethiolate; 2-[2-piperidinoethyl(2-sulfidoethyl)amino]ethanethiolate Formula: C18H29N2OS3Tc MolecularWeight: 484.536915

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)[S-].C1CCN(CC1)CCN(CC[S-])CC[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;1-6-2-4-7(8)5-3-6;;/h14-15H,1-11H2;2-5,8H,1H3;;/q;;;+3/p-3/i;;;1+1