N-ethyl-5-methyl-9-oxidanylidene-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide

Systemtic Name: N-ethyl-5-methyl-9-oxidanylidene-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide Openeye Name: N-ethyl-5-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide CAS Name: N-ethyl-5-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide IUPAC Name: N-ethyl-5-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide Traditional Name: N-ethyl-9-keto-5-methyl-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide Formula: C35H35N3OS MolecularWeight: 545.7369

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1C(C2C(NC(C(C1C3=CC=CC=C3)(C2=O)C)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCNC(=S)N1C(C2C(NC(C(C1C3=CC=CC=C3)(C2=O)C)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C35H35N3OS/c1-3-36-34(40)38-30(25-18-10-5-11-19-25)28-29(24-16-8-4-9-17-24)37-31(26-20-12-6-13-21-26)35(2,33(28)39)32(38)27-22-14-7-15-23-27/h4-23,28-32,37H,3H2,1-2H3,(H,36,40)