2-[3-[3-(3,4-dichlorophenyl)-4-[methoxy(methyl)carbamoyl]-8-azabicyclo[3.2.1]oct-3-en-8-yl]propyl-(2-sulfanidylethyl)amino]-N-(2-sulfanidylethyl)ethanimidate; oxygen(2-); technetium(5+)

Systemtic Name: 2-[3-[3-(3,4-dichlorophenyl)-4-[methoxy(methyl)carbamoyl]-8-azabicyclo[3.2.1]oct-3-en-8-yl]propyl-(2-sulfanidylethyl)amino]-N-(2-sulfanidylethyl)ethanimidate; oxygen(2-); technetium(5+) Openeye Name: 2-[3-[3-(3,4-dichlorophenyl)-4-[methoxy(methyl)carbamoyl]-8-azabicyclo[3.2.1]oct-3-en-8-yl]propyl-(2-sulfidoethyl)amino]-N-(2-sulfidoethyl)ethanimidate; oxygen(2-); technetium(5+) CAS Name: 2-[3-[3-(3,4-dichlorophenyl)-4-[[methoxy(methyl)amino]-oxomethyl]-8-azabicyclo[3.2.1]oct-3-en-8-yl]propyl-(2-sulfidoethyl)amino]-N-(2-sulfidoethyl)ethanimidate; oxygen(2-); technetium(5+) IUPAC Name: 2-[3-[3-(3,4-dichlorophenyl)-4-[methoxy(methyl)carbamoyl]-8-azabicyclo[3.2.1]oct-3-en-8-yl]propyl-(2-sulfidoethyl)amino]-N-(2-sulfidoethyl)ethanimidate; oxygen(2-); technetium(5+) Traditional Name: 2-[3-[3-(3,4-dichlorophenyl)-4-[methoxy(methyl)carbamoyl]-8-azabicyclo[3.2.1]oct-3-en-8-yl]propyl-(2-sulfidoethyl)amino]-N-(2-sulfidoethyl)acetimidate; oxygen(2-); technetium(5+) Formula: C25H33Cl2N4O4S2Tc MolecularWeight: 686.497136

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C1=C(CC2CCC1N2CCCN(CC[S-])CC(=NCC[S-])[O-])C3=CC(=C(C=C3)Cl)Cl)OC.[O-2].[Tc+5]

Isomeric SMILES

CN(C(=O)C1=C(CC2CCC1N2CCCN(CC[S-])CC(=NCC[S-])[O-])C3=CC(=C(C=C3)Cl)Cl)OC.[O-2].[Tc+5]

InChI

InChI=1S/C25H36Cl2N4O3S2.O.Tc/c1-29(34-2)25(33)24-19(17-4-6-20(26)21(27)14-17)15-18-5-7-22(24)31(18)10-3-9-30(11-13-36)16-23(32)28-8-12-35;;/h4,6,14,18,22,35-36H,3,5,7-13,15-16H2,1-2H3,(H,28,32);;/q;-2;+5/p-3