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

Systemtic Name: 5-methyl-9-oxidanylidene-2,4,6,8-tetraphenyl-N-prop-2-enyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide Openeye Name: N-allyl-5-methyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide CAS Name: 5-methyl-9-oxo-2,4,6,8-tetraphenyl-N-prop-2-enyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide IUPAC Name: 5-methyl-9-oxo-2,4,6,8-tetraphenyl-N-prop-2-enyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide Traditional Name: N-allyl-9-keto-5-methyl-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide Formula: C36H35N3OS MolecularWeight: 557.7476

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Descriptors Computed from Structure

Canonical SMILES:

CC12C(NC(C(C1=O)C(N(C2C3=CC=CC=C3)C(=S)NCC=C)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CC12C(NC(C(C1=O)C(N(C2C3=CC=CC=C3)C(=S)NCC=C)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H35N3OS/c1-3-24-37-35(41)39-31(26-18-10-5-11-19-26)29-30(25-16-8-4-9-17-25)38-32(27-20-12-6-13-21-27)36(2,34(29)40)33(39)28-22-14-7-15-23-28/h3-23,29-33,38H,1,24H2,2H3,(H,37,41)