4-[2-(1-adamantylsulfanyl)ethanoyl]-3,3-dimethyl-1H-quinoxalin-2-one

Systemtic Name: 4-[2-(1-adamantylsulfanyl)ethanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Openeye Name: 4-[2-(1-adamantylsulfanyl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one CAS Name: 4-[2-(1-adamantylthio)-1-oxoethyl]-3,3-dimethyl-1H-quinoxalin-2-one IUPAC Name: 4-[2-(1-adamantylsulfanyl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Traditional Name: 4-[2-(1-adamantylthio)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC34CC5CC(C3)CC(C5)C4)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)CSC34CC5CC(C3)CC(C5)C4)C

InChI

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