N3,N7-bis(4-methoxyphenyl)-1-methyl-9-oxidanylidene-5-propyl-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbothioamide

Systemtic Name: N3,N7-bis(4-methoxyphenyl)-1-methyl-9-oxidanylidene-5-propyl-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbothioamide Openeye Name: N3,N7-bis(4-methoxyphenyl)-1-methyl-9-oxo-5-propyl-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbothioamide CAS Name: N3,N7-bis(4-methoxyphenyl)-1-methyl-9-oxo-5-propyl-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbothioamide IUPAC Name: 3-N,7-N-bis(4-methoxyphenyl)-1-methyl-9-oxo-5-propyl-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbothioamide Traditional Name: 9-keto-N,N'-bis(4-methoxyphenyl)-1-methyl-5-propyl-3,7-diazabicyclo[3.3.1]nonane-3,7-dicarbothioamide Formula: C27H34N4O3S2 MolecularWeight: 526.71386

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12CN(CC(C1=O)(CN(C2)C(=S)NC3=CC=C(C=C3)OC)C)C(=S)NC4=CC=C(C=C4)OC

Isomeric SMILES

CCCC12CN(CC(C1=O)(CN(C2)C(=S)NC3=CC=C(C=C3)OC)C)C(=S)NC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H34N4O3S2/c1-5-14-27-17-30(24(35)28-19-6-10-21(33-3)11-7-19)15-26(2,23(27)32)16-31(18-27)25(36)29-20-8-12-22(34-4)13-9-20/h6-13H,5,14-18H2,1-4H3,(H,28,35)(H,29,36)