5-butyl-1-methyl-N3,N7-bis(2-methylphenyl)-9-oxidanylidene-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbothioamide

Systemtic Name: 5-butyl-1-methyl-N3,N7-bis(2-methylphenyl)-9-oxidanylidene-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbothioamide Openeye Name: 5-butyl-1-methyl-N3,N7-bis(o-tolyl)-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbothioamide CAS Name: 5-butyl-1-methyl-N3,N7-bis(2-methylphenyl)-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbothioamide IUPAC Name: 5-butyl-1-methyl-3-N,7-N-bis(2-methylphenyl)-9-oxo-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbothioamide Traditional Name: 5-butyl-9-keto-1-methyl-N,N'-bis(o-tolyl)-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbothioamide Formula: C28H36N4OS2 MolecularWeight: 508.74164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC12CN(CC(C1=O)(CN(C2)C(=S)NC3=CC=CC=C3C)C)C(=S)NC4=CC=CC=C4C

Isomeric SMILES

CCCCC12CN(CC(C1=O)(CN(C2)C(=S)NC3=CC=CC=C3C)C)C(=S)NC4=CC=CC=C4C

InChI

InChI=1S/C28H36N4OS2/c1-5-6-15-28-18-31(25(34)29-22-13-9-7-11-20(22)2)16-27(4,24(28)33)17-32(19-28)26(35)30-23-14-10-8-12-21(23)3/h7-14H,5-6,15-19H2,1-4H3,(H,29,34)(H,30,35)