2-(2-adamantyl)-4,4-dimethyl-1-(2-phenylsulfanylethanoyl)-1,2-diazetidin-3-one

Systemtic Name: 2-(2-adamantyl)-4,4-dimethyl-1-(2-phenylsulfanylethanoyl)-1,2-diazetidin-3-one Openeye Name: 2-(2-adamantyl)-4,4-dimethyl-1-(2-phenylsulfanylacetyl)diazetidin-3-one CAS Name: 2-(2-adamantyl)-4,4-dimethyl-1-[1-oxo-2-(phenylthio)ethyl]-3-diazetidinone IUPAC Name: 2-(2-adamantyl)-4,4-dimethyl-1-(2-phenylsulfanylacetyl)diazetidin-3-one Traditional Name: 2-(2-adamantyl)-4,4-dimethyl-1-[2-(phenylthio)acetyl]diazetidin-3-one Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(N1C(=O)CSC2=CC=CC=C2)C3C4CC5CC(C4)CC3C5)C

Isomeric SMILES

CC1(C(=O)N(N1C(=O)CSC2=CC=CC=C2)C3C4CC5CC(C4)CC3C5)C

InChI

InChI=1S/C22H28N2O2S/c1-22(2)21(26)23(20-16-9-14-8-15(11-16)12-17(20)10-14)24(22)19(25)13-27-18-6-4-3-5-7-18/h3-7,14-17,20H,8-13H2,1-2H3