7-[(4-bromophenyl)methyl]-1,5-dimethyl-N-phenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide

Systemtic Name: 7-[(4-bromophenyl)methyl]-1,5-dimethyl-N-phenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide Openeye Name: 7-[(4-bromophenyl)methyl]-1,5-dimethyl-N-phenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide CAS Name: 7-[(4-bromophenyl)methyl]-1,5-dimethyl-N-phenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide IUPAC Name: 7-[(4-bromophenyl)methyl]-1,5-dimethyl-N-phenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide Traditional Name: 7-(4-bromobenzyl)-1,5-dimethyl-N-phenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide Formula: C23H28BrN3S MolecularWeight: 458.45752

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(CN(C1)CC3=CC=C(C=C3)Br)(CN(C2)C(=S)NC4=CC=CC=C4)C

Isomeric SMILES

CC12CC(CN(C1)CC3=CC=C(C=C3)Br)(CN(C2)C(=S)NC4=CC=CC=C4)C

InChI

InChI=1S/C23H28BrN3S/c1-22-13-23(2,15-26(14-22)12-18-8-10-19(24)11-9-18)17-27(16-22)21(28)25-20-6-4-3-5-7-20/h3-11H,12-17H2,1-2H3,(H,25,28)