8-diphenoxyphosphoryl-1,6-dimethyl-N-(2-methylphenyl)-10-oxidanylidene-4,8-diazabicyclo[4.3.1]decane-4-carbothioamide

Systemtic Name: 8-diphenoxyphosphoryl-1,6-dimethyl-N-(2-methylphenyl)-10-oxidanylidene-4,8-diazabicyclo[4.3.1]decane-4-carbothioamide Openeye Name: 8-diphenoxyphosphoryl-1,6-dimethyl-N-(o-tolyl)-10-oxo-4,8-diazabicyclo[4.3.1]decane-4-carbothioamide CAS Name: 8-diphenoxyphosphoryl-1,6-dimethyl-N-(2-methylphenyl)-10-oxo-4,8-diazabicyclo[4.3.1]decane-4-carbothioamide IUPAC Name: 8-diphenoxyphosphoryl-1,6-dimethyl-N-(2-methylphenyl)-10-oxo-4,8-diazabicyclo[4.3.1]decane-4-carbothioamide Traditional Name: 8-diphenoxyphosphoryl-10-keto-1,6-dimethyl-N-(o-tolyl)-4,8-diazabicyclo[4.3.1]decane-4-carbothioamide Formula: C30H34N3O4PS MolecularWeight: 563.647421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N2CCC3(CN(CC(C2)(C3=O)C)P(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N2CCC3(CN(CC(C2)(C3=O)C)P(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5)C

InChI

InChI=1S/C30H34N3O4PS/c1-23-12-10-11-17-26(23)31-28(39)32-19-18-29(2)21-33(22-30(3,20-32)27(29)34)38(35,36-24-13-6-4-7-14-24)37-25-15-8-5-9-16-25/h4-17H,18-22H2,1-3H3,(H,31,39)