N,N-diethyl-9-[8-(4H-imidazol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]thioxanthene-3-carboxamide

Systemtic Name: N,N-diethyl-9-[8-(4H-imidazol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]thioxanthene-3-carboxamide Openeye Name: N,N-diethyl-9-[8-(4H-imidazol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]thioxanthene-3-carboxamide CAS Name: N,N-diethyl-9-[8-(4H-imidazol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]-3-thioxanthenecarboxamide IUPAC Name: N,N-diethyl-9-[8-(4H-imidazol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]thioxanthene-3-carboxamide Traditional Name: N,N-diethyl-9-[8-(4H-imidazol-5-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ylidene]thioxanthene-3-carboxamide Formula: C29H32N4OS MolecularWeight: 484.65558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC2=C(C=C1)C(=C3CC4CCC(C3)N4CC5=NC=NC5)C6=CC=CC=C6S2

Isomeric SMILES

CCN(CC)C(=O)C1=CC2=C(C=C1)C(=C3CC4CCC(C3)N4CC5=NC=NC5)C6=CC=CC=C6S2

InChI

InChI=1S/C29H32N4OS/c1-3-32(4-2)29(34)19-9-12-25-27(15-19)35-26-8-6-5-7-24(26)28(25)20-13-22-10-11-23(14-20)33(22)17-21-16-30-18-31-21/h5-9,12,15,18,22-23H,3-4,10-11,13-14,16-17H2,1-2H3