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

Systemtic Name: 1-methyl-N3,N7-bis(2-methylphenyl)-9-oxidanylidene-5-propyl-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbothioamide Openeye Name: 1-methyl-N3,N7-bis(o-tolyl)-9-oxo-5-propyl-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbothioamide CAS Name: 1-methyl-N3,N7-bis(2-methylphenyl)-9-oxo-5-propyl-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbothioamide IUPAC Name: 1-methyl-3-N,7-N-bis(2-methylphenyl)-9-oxo-5-propyl-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbothioamide Traditional Name: 9-keto-1-methyl-N,N'-bis(o-tolyl)-5-propyl-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbothioamide Formula: C27H34N4OS2 MolecularWeight: 494.71506

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12CN(CC(C1=O)(CN(C2)C(=S)NC3=CC=CC=C3C)C)C(=S)NC4=CC=CC=C4C

Isomeric SMILES

CCCC12CN(CC(C1=O)(CN(C2)C(=S)NC3=CC=CC=C3C)C)C(=S)NC4=CC=CC=C4C

InChI

InChI=1S/C27H34N4OS2/c1-5-14-27-17-30(24(33)28-21-12-8-6-10-19(21)2)15-26(4,23(27)32)16-31(18-27)25(34)29-22-13-9-7-11-20(22)3/h6-13H,5,14-18H2,1-4H3,(H,28,33)(H,29,34)