N,N-diethyl-9-[8-(3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-ylidene]thioxanthene-3-carboxamide

Systemtic Name: N,N-diethyl-9-[8-(3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-ylidene]thioxanthene-3-carboxamide Openeye Name: N,N-diethyl-9-[8-(3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-ylidene]thioxanthene-3-carboxamide CAS Name: N,N-diethyl-9-[8-[3-(methylthio)propyl]-8-azabicyclo[3.2.1]octan-3-ylidene]-3-thioxanthenecarboxamide IUPAC Name: N,N-diethyl-9-[8-(3-methylsulfanylpropyl)-8-azabicyclo[3.2.1]octan-3-ylidene]thioxanthene-3-carboxamide Traditional Name: N,N-diethyl-9-[8-[3-(methylthio)propyl]-8-azabicyclo[3.2.1]octan-3-ylidene]thioxanthene-3-carboxamide Formula: C29H36N2OS2 MolecularWeight: 492.73894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC2=C(C=C1)C(=C3CC4CCC(C3)N4CCCSC)C5=CC=CC=C5S2

Isomeric SMILES

CCN(CC)C(=O)C1=CC2=C(C=C1)C(=C3CC4CCC(C3)N4CCCSC)C5=CC=CC=C5S2

InChI

InChI=1S/C29H36N2OS2/c1-4-30(5-2)29(32)20-11-14-25-27(19-20)34-26-10-7-6-9-24(26)28(25)21-17-22-12-13-23(18-21)31(22)15-8-16-33-3/h6-7,9-11,14,19,22-23H,4-5,8,12-13,15-18H2,1-3H3