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

Systemtic Name: 9-oxidanylidene-2,4,6,8-tetraphenyl-N-prop-2-enyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide Openeye Name: N-allyl-9-oxo-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide CAS Name: 9-oxo-2,4,6,8-tetraphenyl-N-prop-2-enyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide IUPAC Name: 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-2,4,6,8-tetraphenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide Formula: C35H33N3OS MolecularWeight: 543.72102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H33N3OS/c1-2-23-36-35(40)38-32(26-19-11-5-12-20-26)28-30(24-15-7-3-8-16-24)37-31(25-17-9-4-10-18-25)29(34(28)39)33(38)27-21-13-6-14-22-27/h2-22,28-33,37H,1,23H2,(H,36,40)