methanal; N-[2-[4-[[2-[methyl-(phenylmethyl)carbamoyl]-4-phenyl-quinolin-3-yl]methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-2-[[1-oxidanidyl-2-[(1-oxidanidyl-2-sulfanidyl-ethylidene)amino]ethylidene]amino]ethanimidate; technetium-99(4+)

Systemtic Name: methanal; N-[2-[4-[[2-[methyl-(phenylmethyl)carbamoyl]-4-phenyl-quinolin-3-yl]methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-2-[[1-oxidanidyl-2-[(1-oxidanidyl-2-sulfanidyl-ethylidene)amino]ethylidene]amino]ethanimidate; technetium-99(4+) Openeye Name: N-[2-[4-[[2-[benzyl(methyl)carbamoyl]-4-phenyl-3-quinolyl]methyl]piperazin-1-yl]-2-oxo-ethyl]-2-[[1-oxido-2-[(1-oxido-2-sulfido-ethylidene)amino]ethylidene]amino]ethanimidate; formaldehyde; technetium-99(4+) CAS Name: formaldehyde; N-[2-[4-[[2-[[methyl-(phenylmethyl)amino]-oxomethyl]-4-phenyl-3-quinolinyl]methyl]-1-piperazinyl]-2-oxoethyl]-2-[[1-oxido-2-[(1-oxido-2-sulfidoethylidene)amino]ethylidene]amino]ethanimidate; technetium-99(4+) IUPAC Name: N-[2-[4-[[2-[benzyl(methyl)carbamoyl]-4-phenylquinolin-3-yl]methyl]piperazin-1-yl]-2-oxoethyl]-2-[[1-oxido-2-[(1-oxido-2-sulfidoethylidene)amino]ethylidene]amino]ethanimidate; formaldehyde; technetium-99(4+) Traditional Name: N-[2-[4-[[2-[benzyl(methyl)carbamoyl]-4-phenyl-3-quinolyl]methyl]piperazino]-2-keto-ethyl]-2-[[1-oxido-2-[(1-oxido-2-sulfido-ethylidene)amino]ethylidene]amino]acetimidate; formaldehyde; technetium-99(4+) Formula: C38H39N7O6STc MolecularWeight: 820.730815

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=NC3=CC=CC=C3C(=C2CN4CCN(CC4)C(=O)CN=C(CN=C(CN=C(C[S-])[O-])[O-])[O-])C5=CC=CC=C5.C=O.[Tc+4]

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=NC3=CC=CC=C3C(=C2CN4CCN(CC4)C(=O)CN=C(CN=C(CN=C(C[S-])[O-])[O-])[O-])C5=CC=CC=C5.C=O.[99Tc+4]

InChI

InChI=1S/C37H41N7O5S.CH2O.Tc/c1-42(23-26-10-4-2-5-11-26)37(49)36-29(35(27-12-6-3-7-13-27)28-14-8-9-15-30(28)41-36)24-43-16-18-44(19-17-43)34(48)22-40-32(46)20-38-31(45)21-39-33(47)25-50;1-2;/h2-15,50H,16-25H2,1H3,(H,38,45)(H,39,47)(H,40,46);1H2;/q;;+4/p-4/i;;1+1