6-[4-[3-(1-adamantyl)-4-oxidanyl-phenyl]-3-methyl-phenyl]-3-thia-1-azabicyclo[2.1.1]hexane-2,5-dione

Systemtic Name: 6-[4-[3-(1-adamantyl)-4-oxidanyl-phenyl]-3-methyl-phenyl]-3-thia-1-azabicyclo[2.1.1]hexane-2,5-dione Openeye Name: 6-[4-[3-(1-adamantyl)-4-hydroxy-phenyl]-3-methyl-phenyl]-3-thia-1-azabicyclo[2.1.1]hexane-2,5-dione CAS Name: 6-[4-[3-(1-adamantyl)-4-hydroxyphenyl]-3-methylphenyl]-3-thia-1-azabicyclo[2.1.1]hexane-2,5-dione IUPAC Name: 6-[4-[3-(1-adamantyl)-4-hydroxyphenyl]-3-methylphenyl]-3-thia-1-azabicyclo[2.1.1]hexane-2,5-dione Traditional Name: 6-[4-[3-(1-adamantyl)-4-hydroxy-phenyl]-3-methyl-phenyl]-3-thia-1-azabicyclo[2.1.1]hexane-2,5-quinone Formula: C27H27NO3S MolecularWeight: 445.57318

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2C3C(=O)N2C(=O)S3)C4=CC(=C(C=C4)O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CC1=C(C=CC(=C1)C2C3C(=O)N2C(=O)S3)C4=CC(=C(C=C4)O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C27H27NO3S/c1-14-6-19(23-24-25(30)28(23)26(31)32-24)2-4-20(14)18-3-5-22(29)21(10-18)27-11-15-7-16(12-27)9-17(8-15)13-27/h2-6,10,15-17,23-24,29H,7-9,11-13H2,1H3