3-diphenoxyphosphoryl-1,5-dimethyl-9-oxidanylidene-N-propyl-3,7-diazabicyclo[3.3.1]nonane-7-carbothioamide

Systemtic Name: 3-diphenoxyphosphoryl-1,5-dimethyl-9-oxidanylidene-N-propyl-3,7-diazabicyclo[3.3.1]nonane-7-carbothioamide Openeye Name: 3-diphenoxyphosphoryl-1,5-dimethyl-9-oxo-N-propyl-3,7-diazabicyclo[3.3.1]nonane-7-carbothioamide CAS Name: 3-diphenoxyphosphoryl-1,5-dimethyl-9-oxo-N-propyl-3,7-diazabicyclo[3.3.1]nonane-7-carbothioamide IUPAC Name: 3-diphenoxyphosphoryl-1,5-dimethyl-9-oxo-N-propyl-3,7-diazabicyclo[3.3.1]nonane-7-carbothioamide Traditional Name: 3-diphenoxyphosphoryl-9-keto-1,5-dimethyl-N-propyl-3,7-diazabicyclo[3.3.1]nonane-7-carbothioamide Formula: C25H32N3O4PS MolecularWeight: 501.578041

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)N1CC2(CN(CC(C1)(C2=O)C)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CCCNC(=S)N1CC2(CN(CC(C1)(C2=O)C)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C25H32N3O4PS/c1-4-15-26-23(34)27-16-24(2)18-28(19-25(3,17-27)22(24)29)33(30,31-20-11-7-5-8-12-20)32-21-13-9-6-10-14-21/h5-14H,4,15-19H2,1-3H3,(H,26,34)